BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 38237 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A2a Homo sapiens 2.7 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38238 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) NPNLXWRCDBORLG-UHFFFAOYSA-N 21174 CHEMBL398272::N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 26 Adenosine receptor A2a Homo sapiens 0.9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21174&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768400 49689247 CHEMBL398272 ZINC23360508 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38239 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1 InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28) BWVAXODRSJSHDC-UHFFFAOYSA-N 21175 CHEMBL252171::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 27 Adenosine receptor A2a Homo sapiens 2.0 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21175&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768401 49689248 CHEMBL252171 ZINC23360511 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38240 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1 InChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27) RSJQVIXBHCEQHV-UHFFFAOYSA-N 21176 N-[2-(5-methylfuran-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 28 Adenosine receptor A2a Homo sapiens 135 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21176&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768402 49689249 ZINC23360514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38241 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1 InChI=1S/C20H25N7O2/c1-14-6-7-21-27(14)18-12-17(23-20(24-18)16-5-4-15(2)29-16)22-19(28)13-26-10-8-25(3)9-11-26/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24,28) SHZQNWHJWFFGPA-UHFFFAOYSA-N 21177 N-[6-(5-methyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 29 Adenosine receptor A2a Homo sapiens 14 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21177&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768403 49689250 ZINC23360517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38242 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29) QIPISTDFCOPXCR-UHFFFAOYSA-N 21178 JMC511730 Compound 1::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 30 Adenosine receptor A2a Homo sapiens 12 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21178&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768404 49689251 ZINC23360520 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38243 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1 InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26) RSXYRGSDOLORMR-UHFFFAOYSA-N 21179 N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 31 Adenosine receptor A2a Homo sapiens 51 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21179&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11956198 49689252 ZINC23360523 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38244 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1 InChI=1S/C20H22N6OS/c1-25-8-10-26(11-9-25)14-19(27)23-18-13-16(15-5-2-3-7-21-15)22-20(24-18)17-6-4-12-28-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,23,24,27) QFYGWYSCRHAECE-UHFFFAOYSA-N 21180 2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 32 Adenosine receptor A2a Homo sapiens 24 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21180&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768405 49689253 ZINC23360526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38245 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1 InChI=1S/C17H21N9O/c1-23-8-10-24(11-9-23)13-16(27)20-14-12-15(25-6-2-4-18-25)22-17(21-14)26-7-3-5-19-26/h2-7,12H,8-11,13H2,1H3,(H,20,21,22,27) QLEOUVARNDJFJN-UHFFFAOYSA-N 21181 N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 33 Adenosine receptor A2a Homo sapiens 131 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21181&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768406 49689254 ZINC23360528 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38246 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) QHUIIOCQAIOLJY-UHFFFAOYSA-N 21182 CHEMBL270761::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 34 Adenosine receptor A2a Homo sapiens 27 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21182&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768407 49689255 CHEMBL270761 ZINC23360531 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38247 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1 InChI=1S/C19H24N8O2/c1-13-8-14(2)27(24-13)19-21-15(16-10-20-12-29-16)9-17(23-19)22-18(28)11-26-6-4-25(3)5-7-26/h8-10,12H,4-7,11H2,1-3H3,(H,21,22,23,28) SOTLFSJXJXCTLT-UHFFFAOYSA-N 21183 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-oxazol-5-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 35 Adenosine receptor A2a Homo sapiens 1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21183&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768408 49689256 ZINC23360534 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38248 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1 InChI=1S/C20H26N8O2/c1-13-9-14(2)28(25-13)20-22-16(19-15(3)21-12-30-19)10-17(24-20)23-18(29)11-27-7-5-26(4)6-8-27/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,24,29) LEQUNUQCDRRCMW-UHFFFAOYSA-N 21184 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methyl-1,3-oxazol-5-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 36 Adenosine receptor A2a Homo sapiens 190 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21184&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768409 49689257 ZINC23360537 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38249 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1 InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26) PSCBVZXHPONWAG-UHFFFAOYSA-N 21185 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 37 Adenosine receptor A2a Homo sapiens 17 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21185&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768410 49689258 ZINC23360540 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38250 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1 InChI=1S/C19H22N8O/c1-25-9-11-26(12-10-25)14-18(28)22-16-13-17(27-8-4-7-21-27)24-19(23-16)15-5-2-3-6-20-15/h2-8,13H,9-12,14H2,1H3,(H,22,23,24,28) VBPKAULCBBOHDH-UHFFFAOYSA-N 21186 2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide::Pyrimidine analogue, 38 Adenosine receptor A2a Homo sapiens 53.4 Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21186&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768411 49689259 ZINC23360543 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38251 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1 InChI=1S/C21H26N8O/c1-15-12-16(2)29(26-15)19-13-18(24-21(25-19)17-6-4-5-7-22-17)23-20(30)14-28-10-8-27(3)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,25,30) IWFABDHEBLKWSW-UHFFFAOYSA-N 21187 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 39 Adenosine receptor A2a Homo sapiens 25.5 Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21187&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768412 49689260 ZINC23360546 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38252 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) WVDKULPCDHAQIA-UHFFFAOYSA-N 21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40 Adenosine receptor A2a Homo sapiens 9 Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21188&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768413 49689261 ZINC23360548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38253 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.22 Curated from the literature by BindingDB 10.1021/jm701185v 10.7270/Q2W66J2J 18307292 aid1798052 Slee, DH; Chen, Y; Zhang, X; Moorjani, M; Lanier, MC; Lin, E; Rueter, JK; Williams, JP; Lechner, SM; Markison, S; Malany, S; Santos, M; Gross, RS; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38254 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C21H27N7O2/c1-14-11-15(2)28(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(29)13-27-9-7-26(4)8-10-27/h5-6,11-12H,7-10,13H2,1-4H3,(H,22,23,24,29) QIPISTDFCOPXCR-UHFFFAOYSA-N 21178 JMC511730 Compound 1::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 30 Adenosine receptor A2a Homo sapiens 12 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21178&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768404 49689251 ZINC23360520 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38255 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H29N7O2/c1-5-27-8-10-28(11-9-27)14-21(30)23-19-13-20(29-16(3)12-15(2)26-29)25-22(24-19)18-7-6-17(4)31-18/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30) ADUMYZLFDDEFPS-UHFFFAOYSA-N 21192 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 6 Adenosine receptor A2a Homo sapiens 11 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21192&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768414 49689265 ZINC23360551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38256 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H29N7O2/c1-15-12-16(2)29(26-15)20-13-19(24-22(25-20)18-7-6-17(3)31-18)23-21(30)14-28-9-5-8-27(4)10-11-28/h6-7,12-13H,5,8-11,14H2,1-4H3,(H,23,24,25,30) NDSMOKBIZMIYDJ-UHFFFAOYSA-N 21193 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide::Pyrimidin-4-ylacetamide, 7 Adenosine receptor A2a Homo sapiens 10 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21193&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768415 49689266 ZINC36126809 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38257 CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m1/s1 KRQSPIGYXUHKMU-LJQANCHMSA-N 21194 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 20 Adenosine receptor A2a Homo sapiens 10 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21194&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768416 49689267 ZINC14975535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38258 CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-16-11-17(2)31(28-16)22-12-21(26-24(27-22)20-9-8-18(3)33-20)25-23(32)15-30-10-6-7-19(14-30)13-29(4)5/h8-9,11-12,19H,6-7,10,13-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1 KRQSPIGYXUHKMU-IBGZPJMESA-N 21195 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 21 Adenosine receptor A2a Homo sapiens 1.5 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21195&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768417 49689268 ZINC14975538 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38259 CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32) IRGVKZAWAFXJJG-UHFFFAOYSA-N 21196 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-{4-[(dimethylamino)methyl]piperidin-1-yl}acetamide::Pyrimidin-4-ylacetamide, 22 Adenosine receptor A2a Homo sapiens 2.9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21196&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768418 49689269 ZINC14975540 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38260 CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H27N7O3/c1-14-11-15(2)29(26-14)20-12-19(24-22(25-20)18-6-5-16(3)32-18)23-21(31)13-27-7-9-28(10-8-27)17(4)30/h5-6,11-12H,7-10,13H2,1-4H3,(H,23,24,25,31) DVMXMPFGPAWRLB-UHFFFAOYSA-N 21197 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 8 Adenosine receptor A2a Homo sapiens 3.6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768419 49689270 ZINC14975543 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38261 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C20H24N6O3/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-6-8-28-9-7-25)22-20(23-18)16-5-4-15(3)29-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23,27) ABOTXPKVARXPFD-UHFFFAOYSA-N 21198 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide::Pyrimidin-4-ylacetamide, 9 Adenosine receptor A2a Homo sapiens 5.7 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21198&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768420 49689271 ZINC14975546 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38262 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C21H26N6O3/c1-14-11-15(2)27(25-14)19-12-18(23-21(24-19)17-6-5-16(3)30-17)22-20(28)13-26-7-4-9-29-10-8-26/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,22,23,24,28) MJCNLEGNWBNHCX-UHFFFAOYSA-N 21199 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1,4-oxazepan-4-yl)acetamide::Pyrimidin-4-ylacetamide, 10 Adenosine receptor A2a Homo sapiens 6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21199&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768421 49689272 ZINC14975548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38263 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H28N6O3/c1-14-11-15(2)28(26-14)20-12-19(24-22(25-20)18-6-5-16(3)31-18)23-21(29)13-27-9-7-17(30-4)8-10-27/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,23,24,25,29) PXIFQOPKARTYCR-UHFFFAOYSA-N 21200 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 11 Adenosine receptor A2a Homo sapiens 15 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21200&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768422 49689273 ZINC14975551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38264 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1 InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29) BKVXJUVJYOXVBD-UHFFFAOYSA-N 21201 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide::Pyrimidin-4-ylacetamide, 4 Adenosine receptor A2a Homo sapiens 5.4 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21201&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768423 49689274 ZINC14975554 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38265 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C20H24N6O2/c1-13-10-14(2)26(24-13)18-11-17(21-19(27)12-25-8-4-5-9-25)22-20(23-18)16-7-6-15(3)28-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,23,27) ICWUXDJBFYYDHU-UHFFFAOYSA-N 21202 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(pyrrolidin-1-yl)acetamide::Pyrimidin-4-ylacetamide, 12 Adenosine receptor A2a Homo sapiens 8.6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768424 49689275 ZINC14975557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38266 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m0/s1 FJQPCZJPOCTEEK-KRWDZBQOSA-N 21203 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 13 Adenosine receptor A2a Homo sapiens 3.7 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768425 49689276 ZINC36126810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38267 CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-14-10-15(2)29(26-14)20-11-19(24-22(25-20)18-7-6-16(3)31-18)23-21(30)13-28-9-8-17(12-28)27(4)5/h6-7,10-11,17H,8-9,12-13H2,1-5H3,(H,23,24,25,30)/t17-/m1/s1 FJQPCZJPOCTEEK-QGZVFWFLSA-N 21204 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 14 Adenosine receptor A2a Homo sapiens 4.0 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768426 49689277 ZINC36124139 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38268 CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1 KGHBKXALSJLZKK-SFHVURJKSA-N 21205 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(propan-2-yloxy)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 15 Adenosine receptor A2a Homo sapiens 86 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768427 49689278 ZINC14975565 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38269 CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m1/s1 KMMAIJQUGOQJIO-QGZVFWFLSA-N 21206 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 16 Adenosine receptor A2a Homo sapiens 3.8 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768428 49689279 ZINC23360565 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38270 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1 KMMAIJQUGOQJIO-KRWDZBQOSA-N 21207 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 17 Adenosine receptor A2a Homo sapiens 2.5 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768429 49689280 ZINC23360571 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38271 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C24H33N7O2/c1-6-30(7-2)19-10-11-29(14-19)15-23(32)25-21-13-22(31-17(4)12-16(3)28-31)27-24(26-21)20-9-8-18(5)33-20/h8-9,12-13,19H,6-7,10-11,14-15H2,1-5H3,(H,25,26,27,32)/t19-/m0/s1 RZWNFRXLFHITKC-IBGZPJMESA-N 21208 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide::Pyrimidin-4-ylacetamide, 18 Adenosine receptor A2a Homo sapiens 4.4 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768430 49689281 ZINC36113884 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38272 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-10-16(2)30(27-15)21-11-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)14-29-9-8-18(13-29)12-28(4)5/h6-7,10-11,18H,8-9,12-14H2,1-5H3,(H,24,25,26,31)/t18-/m1/s1 UAAYMUFGVDVSAW-GOSISDBHSA-N 21209 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 23 Adenosine receptor A2a Homo sapiens 11 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768431 49689282 ZINC14975576 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38273 CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-10-16(2)30(27-15)21-11-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)14-29-9-8-18(13-29)12-28(4)5/h6-7,10-11,18H,8-9,12-14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1 UAAYMUFGVDVSAW-SFHVURJKSA-N 21210 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 24 Adenosine receptor A2a Homo sapiens 2.1 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768432 49689283 ZINC14975579 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38274 CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26) AACWUFIIMOHGSO-UHFFFAOYSA-N 21211 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-(dimethylamino)propanamide::Pyrimidin-4-ylacetamide, 26 Adenosine receptor A2a Homo sapiens 2.1 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768433 49689284 ZINC14975582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38275 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 InChI=1S/C23H31N7O2/c1-15-12-16(2)30(27-15)21-13-20(25-23(26-21)19-7-6-17(3)32-19)24-22(31)9-11-29-10-8-18(14-29)28(4)5/h6-7,12-13,18H,8-11,14H2,1-5H3,(H,24,25,26,31)/t18-/m0/s1 FVYCZVOQAJZLBF-SFHVURJKSA-N 21212 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanamide::Pyrimidin-4-ylacetamide, 27 Adenosine receptor A2a Homo sapiens 2.4 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768434 49689285 ZINC23360577 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38276 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.22 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm701187w 10.7270/Q2RF5S9C 18307293 aid1798054 Slee, DH; Moorjani, M; Zhang, X; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Díaz, JL; Jalali, K; Sai, Y; Zuo, Z; Yang, C; Wen, J; O'Brien, Z; Petroski, R; Saunders, J Neuroscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38358 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1 InChI=1S/C12H9N5/c1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16,17) TUASFNZQWJGIHZ-UHFFFAOYSA-N 21213 2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine::2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]pyridine::2-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]pyridine::CHEMBL260311::triazole-dipyridine, A Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21213&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 314836 49689286 CHEMBL260311 ZINC01761361 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38359 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O InChI=1S/C11H7ClN4O/c12-9-5-8(15-16-9)10-11(17)14-7-4-2-1-3-6(7)13-10/h1-5H,(H,14,17)(H,15,16) HKRYFPDYIBYUGZ-UHFFFAOYSA-N 21214 3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin-2-one::3-(3-chloro-1H-pyrazol-5-yl)quinoxalin-2(1H)-one::CHEMBL403521::pyrazole-quinoxalinone, B Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21214&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11139437 49689287 CHEMBL403521 ZINC13678086 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38360 c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1 InChI=1S/C15H10N4/c1-2-6-11-10(5-1)16-9-14(17-11)15-18-12-7-3-4-8-13(12)19-15/h1-9H,(H,18,19) AYFBMQMYJRNGIM-UHFFFAOYSA-N 21215 2-(1H-1,3-benzodiazol-2-yl)quinoxaline::2-(1H-benzimidazol-2-yl)quinoxaline::CHEMBL200636::benzimidazole-quinoxaline, C1 Adenosine receptor A2a Homo sapiens 561 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11658819 49689288 CHEMBL200636 ZINC13678088 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38361 CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1 InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21) IHVQPVYBIZVMSJ-UHFFFAOYSA-N 21216 2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline::2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline::CHEMBL198008::benzimidazole-quinoxaline, C2 Adenosine receptor A2a Homo sapiens 3440 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21216&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11688103 49689289 CHEMBL198008 ZINC13678112 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38362 Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1 InChI=1S/C16H12N4/c1-10-5-4-8-13-15(10)20-16(19-13)14-9-17-11-6-2-3-7-12(11)18-14/h2-9H,1H3,(H,19,20) HQNVISKJTIKRQJ-UHFFFAOYSA-N 21217 2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline::CHEMBL198779::benzimidazole-quinoxaline, C3 Adenosine receptor A2a Homo sapiens 833 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21217&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11521761 49689290 CHEMBL198779 ZINC13678106 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38363 Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21 InChI=1S/C12H12N6/c1-4-13-7-8(14-4)10-12(18-6(3)16-10)11-9(7)15-5(2)17-11/h1-3H3,(H,13,14)(H,15,17)(H,16,18) UWUCIHVBCVYCBJ-UHFFFAOYSA-N 21218 2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :5,6-d ]triimidazole::4,9,14-trimethyl-3,5,8,10,13,15-hexaazatetracyclo[10.3.0.0^{2,6}.0^{7,11}]pentadeca-1(12),2(6),3,7(11),8,13-hexaene::CHEMBL200480::benzotriimidazole, D Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21218&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14873275 49689291 CHEMBL200480 ZINC13678090 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38364 CC1CSc2nc3nn[nH]c3c(=O)n12 InChI=1S/C7H7N5OS/c1-3-2-14-7-8-5-4(9-11-10-5)6(13)12(3)7/h3H,2H2,1H3,(H,9,10,11) WBHQTBNEJTXXLN-UHFFFAOYSA-N 21219 12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),4,8-trien-2-one::7-methyl-6,7-dihydro[1,3]thiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one::CHEMBL445664::triazolopyrimidinone, E Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21219&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11535816 49689292 CHEMBL445664 ZINC13678093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38365 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 337 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38366 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 16 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38367 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 401 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38368 COc1cc(NC(C)=O)nc(SC)n1 InChI=1S/C8H11N3O2S/c1-5(12)9-6-4-7(13-2)11-8(10-6)14-3/h4H,1-3H3,(H,9,10,11,12) QEGWPRMLVDYOAP-UHFFFAOYSA-N 21222 2-mercaptopyrimidine analogue, 5a::N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21222&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768435 49689295 ZINC14975588 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38369 CCC(=O)Nc1cc(OC)nc(SC)n1 InChI=1S/C9H13N3O2S/c1-4-7(13)10-6-5-8(14-2)12-9(11-6)15-3/h5H,4H2,1-3H3,(H,10,11,12,13) GJFHACCFGHVGBN-UHFFFAOYSA-N 21223 2-mercaptopyrimidine analogue, 5b::N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21223&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768436 49689296 ZINC14975591 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38370 CCCOc1cc(NC(C)=O)nc(SC)n1 InChI=1S/C10H15N3O2S/c1-4-5-15-9-6-8(11-7(2)14)12-10(13-9)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14) SXTYNRQUEVYKGM-UHFFFAOYSA-N 21224 2-mercaptopyrimidine analogue, 5c::N-[2-(methylsulfanyl)-6-propoxypyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 1121 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21224&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768437 49689297 ZINC14975594 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38371 CCCOc1cc(NC(=O)CC)nc(SC)n1 InChI=1S/C11H17N3O2S/c1-4-6-16-10-7-8(12-9(15)5-2)13-11(14-10)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15) QYJDYRFPFRKOAF-UHFFFAOYSA-N 21225 2-mercaptopyrimidine analogue, 5d::N-[2-(methylsulfanyl)-6-propoxypyrimidin-4-yl]propanamide Adenosine receptor A2a Homo sapiens 398 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21225&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768438 49689298 ZINC14975596 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38372 CCCSc1nc(NC(C)=O)cc(OC)n1 InChI=1S/C10H15N3O2S/c1-4-5-16-10-12-8(11-7(2)14)6-9(13-10)15-3/h6H,4-5H2,1-3H3,(H,11,12,13,14) FJZVGFGVKMNZEN-UHFFFAOYSA-N 21226 2-mercaptopyrimidine analogue, 5e::N-[6-methoxy-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768439 49689299 ZINC14975599 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38373 CCCSc1nc(NC(=O)CC)cc(OC)n1 InChI=1S/C11H17N3O2S/c1-4-6-17-11-13-8(12-9(15)5-2)7-10(14-11)16-3/h7H,4-6H2,1-3H3,(H,12,13,14,15) DZGIGWSCYGMAOL-UHFFFAOYSA-N 21227 2-mercaptopyrimidine analogue, 5f::N-[6-methoxy-2-(propylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21227&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768440 49689300 ZINC14975602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38374 CCCOc1cc(NC(C)=O)nc(SCCC)n1 InChI=1S/C12H19N3O2S/c1-4-6-17-11-8-10(13-9(3)16)14-12(15-11)18-7-5-2/h8H,4-7H2,1-3H3,(H,13,14,15,16) MFLLCAQHZQKDSI-UHFFFAOYSA-N 21228 2-mercaptopyrimidine analogue, 5g::N-[6-propoxy-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21228&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768441 49689301 ZINC14975605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38375 CCCOc1cc(NC(=O)CC)nc(SCCC)n1 InChI=1S/C13H21N3O2S/c1-4-7-18-12-9-10(14-11(17)6-3)15-13(16-12)19-8-5-2/h9H,4-8H2,1-3H3,(H,14,15,16,17) LDWFVJJZFOZGAM-UHFFFAOYSA-N 21229 2-mercaptopyrimidine analogue, 5h::N-[6-propoxy-2-(propylsulfanyl)pyrimidin-4-yl]propanamide Adenosine receptor A2a Homo sapiens 71 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21229&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768442 49689302 ZINC14975607 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38376 CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1 InChI=1S/C16H19N3O2S/c1-3-9-21-15-10-14(17-12(2)20)18-16(19-15)22-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20) DYRGWIPSUCOGPQ-UHFFFAOYSA-N 21230 2-mercaptopyrimidine analogue, 5i::N-[2-(benzylsulfanyl)-6-propoxypyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768443 49689303 ZINC14975609 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38377 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1 InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20) GACMOWSTZKJISX-UHFFFAOYSA-N 21231 2-mercaptopyrimidine analogue, 5j::N-[6-(benzyloxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768444 49689304 ZINC14975612 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38378 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1 InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21) GCOZWYSMVAXUDI-UHFFFAOYSA-N 21232 2-mercaptopyrimidine analogue, 5k::N-{6-[(2-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens 4149 Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21232&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768445 49689305 ZINC14975615 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38379 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1 InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21) AESHNCRRLLSPTG-UHFFFAOYSA-N 21233 2-mercaptopyrimidine analogue, 5l::N-{6-[(3-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21233&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768446 49689306 ZINC14975618 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38380 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21) VMUWYGVIWGRWFR-UHFFFAOYSA-N 21234 2-mercaptopyrimidine analogue, 5m::N-{6-[(4-chlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768447 49689307 ZINC14975621 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38381 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1 InChI=1S/C16H17Cl2N3O2S/c1-3-6-24-16-20-14(19-10(2)22)8-15(21-16)23-9-11-4-5-12(17)7-13(11)18/h4-5,7-8H,3,6,9H2,1-2H3,(H,19,20,21,22) ALKHYYXDOUGTKZ-UHFFFAOYSA-N 21235 2-mercaptopyrimidine analogue, 5n::N-{6-[(2,4-dichlorophenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21235&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768448 49689308 ZINC14975624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38382 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1 InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21) GVHQDMHRJGJQHF-UHFFFAOYSA-N 21236 2-mercaptopyrimidine analogue, 5o::N-{6-[(4-methoxyphenyl)methoxy]-2-(propylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21236&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768449 49689309 ZINC14975627 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38383 CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1 InChI=1S/C17H21N3O2S/c1-3-11-23-17-19-15(18-13(2)21)12-16(20-17)22-10-9-14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,18,19,20,21) RGPCIPPBXWHJOD-UHFFFAOYSA-N 21237 2-mercaptopyrimidine analogue, 5p::N-[6-(2-phenylethoxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21237&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768450 49689310 ZINC14975630 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38384 CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1 InChI=1S/C16H25N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,18,19,20) TXTHBALAJYMVIQ-UHFFFAOYSA-N 21238 2-mercaptopyrimidine analogue, 5q::N-[6-(cyclohexylmethoxy)-2-(propylsulfanyl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21238&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768451 49689311 ZINC14975633 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38385 CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20) QTQBWKGZTBCDEM-UHFFFAOYSA-N 21239 2-mercaptopyrimidine analogue, 5r::N-{6-[(4-chlorophenyl)methoxy]-2-(ethylsulfanyl)pyrimidin-4-yl}acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21239&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768452 49689312 ZINC14975634 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 38386 CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1 InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22) LHNYUIMKOCZPNO-UHFFFAOYSA-N 21240 2-mercaptopyrimidine analogue, 5s::N-[2-(tert-butylsulfanyl)-6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens Curated from the literature by BindingDB 10.1021/jm701159t 10.7270/Q2MP51JK 18269230 aid1798061 Cosimelli, B; Greco, G; Ehlardo, M; Novellino, E; Da Settimo, F; Taliani, S; La Motta, C; Bellandi, M; Tuccinardi, T; Martinelli, A; Ciampi, O; Trincavelli, ML; Martini, C Universita di Napoli http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21240&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768453 49689313 ZINC14975637 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47752 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1 InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23) OPNAWTWHKNBYIX-UHFFFAOYSA-N 26231 CHEMBL487765::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6a Adenosine receptor A2a Homo sapiens 87 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138072 56464668 CHEMBL487765 ZINC44305425 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47753 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1 InChI=1S/C16H16N6O/c1-10-7-11(2)22(21-10)16-19-14(13-5-4-6-17-9-13)8-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23) LTWAUSKVHLPSOA-UHFFFAOYSA-N 26232 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6b Adenosine receptor A2a Homo sapiens 120 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26232&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138073 56464669 ZINC45497130 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47754 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1 InChI=1S/C16H16N6O/c1-10-8-11(2)22(21-10)16-19-14(13-4-6-17-7-5-13)9-15(20-16)18-12(3)23/h4-9H,1-3H3,(H,18,19,20,23) KUMYJQZMYWIEHZ-UHFFFAOYSA-N 26233 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6c Adenosine receptor A2a Homo sapiens 40 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26233&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138074 56464670 ZINC40423232 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47755 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24) QTJDEJXKPAATAY-UHFFFAOYSA-N 26234 CHEMBL486950::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6d Adenosine receptor A2a Homo sapiens 0.92 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138075 56464671 CHEMBL486950 ZINC42878321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47756 COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-14(9-16(22-18)20-12(3)25)13-6-5-7-15(26-4)17(13)19/h5-9H,1-4H3,(H,20,21,22,25) MHSIRMSFRHMBDY-UHFFFAOYSA-N 26235 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6e Adenosine receptor A2a Homo sapiens 0.6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26235 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26235&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138076 56464672 ZINC40423898 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47757 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25) XGFRRYAZOMJDQL-UHFFFAOYSA-N 26236 CHEMBL487569::N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6f Adenosine receptor A2a Homo sapiens 0.19 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26236&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138077 56464673 CHEMBL487569 ZINC40422762 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47758 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24) ZPOFECDYIXUBJD-UHFFFAOYSA-N 26237 CHEMBL458242::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6g Adenosine receptor A2a Homo sapiens 2.3 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26237&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138078 56464674 CHEMBL458242 ZINC40864215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47759 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1 InChI=1S/C16H16N6O2/c1-9-4-10(2)22(21-9)16-19-14(6-15(20-16)18-11(3)23)12-5-13(24)8-17-7-12/h4-8,24H,1-3H3,(H,18,19,20,23) TWPKWYDANODGCY-UHFFFAOYSA-N 26238 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6h Adenosine receptor A2a Homo sapiens 2.9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26238&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138079 56464675 ZINC45484858 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47760 COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26) LHFROBFAPLSYRB-UHFFFAOYSA-N 26239 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 7 Adenosine receptor A2a Homo sapiens 3.1 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26239&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138080 56464676 ZINC42887715 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47761 COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29) CYCJQENBXNRINR-UHFFFAOYSA-N 26240 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide::pyrazolylpyrimidine derivative, 9a Adenosine receptor A2a Homo sapiens 4.0 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26240&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138081 56464677 ZINC45484946 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47762 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25) IXMNYLMWWGRTJQ-UHFFFAOYSA-N 26241 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide::pyrazolylpyrimidine derivative, 9b Adenosine receptor A2a Homo sapiens 1.8 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26241&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138082 56464678 ZINC40423480 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47763 COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C17H18N6O3/c1-10-5-11(2)23(22-10)16-19-14(7-15(20-16)21-17(24)26-4)12-6-13(25-3)9-18-8-12/h5-9H,1-4H3,(H,19,20,21,24) OIGKTTFTKCPYQX-UHFFFAOYSA-N 26242 methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate::pyrazolylpyrimidine derivative, 9c Adenosine receptor A2a Homo sapiens 7.4 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26242&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138083 56464679 ZINC42878097 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47764 CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1 InChI=1S/C18H20N6O3/c1-5-27-18(25)22-16-8-15(13-7-14(26-4)10-19-9-13)20-17(21-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25) LZPFERLGKNQAQE-UHFFFAOYSA-N 26243 ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate::pyrazolylpyrimidine derivative, 9d Adenosine receptor A2a Homo sapiens 7.8 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26243&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138084 56464680 ZINC40943100 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47765 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-18(12-19(24-20)22-15(3)28)17-11-16(4-5-21-17)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28) IGPZAROLAAZMAV-UHFFFAOYSA-N 26244 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 17 Adenosine receptor A2a Homo sapiens 87 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26244 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26244&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25069599 56464681 ZINC40423220 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47766 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-8-14(2)27(25-13)20-23-18(10-19(24-20)22-15(3)28)16-9-17(12-21-11-16)26-4-6-29-7-5-26/h8-12H,4-7H2,1-3H3,(H,22,23,24,28) CPUAZCHEZPJRLH-UHFFFAOYSA-N 26245 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 14 Adenosine receptor A2a Homo sapiens 3.0 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26245 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26245&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25074313 56464682 ZINC42888456 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47767 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-10-14(2)27(25-13)20-23-17(12-18(24-20)22-15(3)28)16-4-5-21-19(11-16)26-6-8-29-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24,28) SSWHPIYEHLSRFD-UHFFFAOYSA-N 26246 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 15 Adenosine receptor A2a Homo sapiens 12 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26246&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138085 56464683 ZINC40422957 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47768 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1 InChI=1S/C20H23N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-5-4-6-19(22-16)26-7-9-29-10-8-26/h4-6,11-12H,7-10H2,1-3H3,(H,21,23,24,28) ONJXHXVTYOPVIN-UHFFFAOYSA-N 26247 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16a Adenosine receptor A2a Homo sapiens 0.83 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26247&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25069914 56464684 ZINC42888038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47769 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1 InChI=1S/C16H17N7O/c1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h4-8H,1-3H3,(H2,17,19)(H,18,20,21,24) IJOJVQBWEGAGTM-UHFFFAOYSA-N 26248 N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16b Adenosine receptor A2a Homo sapiens 7.9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26248&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25069603 56464685 ZINC40422795 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47770 CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26) PZIMFNJQILPVJP-UHFFFAOYSA-N 26249 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16c Adenosine receptor A2a Homo sapiens 0.61 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26249&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138086 56464686 ZINC40422932 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47771 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1 InChI=1S/C20H23N7O/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26-9-4-5-10-26/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,21,23,24,28) FKWNFEDFTOOVQH-UHFFFAOYSA-N 26250 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16d Adenosine receptor A2a Homo sapiens 0.26 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26250&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138087 56464687 ZINC45484562 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47772 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1 InChI=1S/C21H25N7O/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-8-7-9-20(23-17)27-10-5-4-6-11-27/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,24,25,29) JOXNJVPEQQKBIP-UHFFFAOYSA-N 26251 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16e Adenosine receptor A2a Homo sapiens 0.56 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26251 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26251&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138088 56464688 ZINC40423671 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47773 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1 InChI=1S/C21H25N7O2/c1-14-12-15(2)28(26-14)21-24-18(13-19(25-21)22-16(3)29)17-6-4-7-20(23-17)27-8-5-10-30-11-9-27/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,22,24,25,29) KWQQYOALARJKSN-UHFFFAOYSA-N 26252 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxazepan-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16f Adenosine receptor A2a Homo sapiens 2.3 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26252 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26252&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138089 56464689 ZINC42887757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47774 CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30) CQMWNSQCEMHNIW-UHFFFAOYSA-N 26253 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16g Adenosine receptor A2a Homo sapiens 0.71 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26253&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138090 56464690 ZINC40423793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47775 COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28) DYRFUYFXUGUOIA-UHFFFAOYSA-N 26254 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16h Adenosine receptor A2a Homo sapiens 0.72 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26254&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25074004 56464691 ZINC40423391 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47776 COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28) UHHRYINUVNKFTA-UHFFFAOYSA-N 26255 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16i Adenosine receptor A2a Homo sapiens 0.47 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26255&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138091 56464692 ZINC45496651 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47777 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) JENSDTKXNVHSSN-UHFFFAOYSA-N 26256 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16j Adenosine receptor A2a Homo sapiens 0.44 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26256&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25074316 56464693 ZINC43200326 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 47778 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1 InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29) NOMOVVSYFDZGOW-UHFFFAOYSA-N 26257 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydroxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16k Adenosine receptor A2a Homo sapiens 1.9 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm800851u 10.7270/Q20R9MQG 18947224 aid1798652 Zhang, X; Tellew, JE; Luo, Z; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Williams, JP; Saunders, J; Lechner, SM; Markison, S; Joswig, T; Petroski, R; Piercey, J; Kargo, W; Malany, S; Santos, M; Gross, RS; Wen, J; Jalali, K; O'Brien, Z; Stotz, CE; Crespo, MI; Diaz, JL; Slee, DH Neurocrine Bioscience http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26257&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138092 56464694 ZINC42878010 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63474 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1 InChI=1S/C15H13N5O2/c16-15-19-11(13-5-3-7-22-13)8-12(20-15)14(21)18-9-10-4-1-2-6-17-10/h1-8H,9H2,(H,18,21)(H2,16,19,20) BENBHTCDSUCPSQ-UHFFFAOYSA-N 35785 pyrimidine-4-carboxamide, 25 Adenosine receptor A2a Homo sapiens 4.3 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35785&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11426423 85856578 ZINC43016852 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63475 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) LJKPWPQGCKKQKY-UHFFFAOYSA-N 35786 pyrimidine-4-carboxamide, 27 Adenosine receptor A2a Homo sapiens 4 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35786&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520941 85856579 ZINC45390699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63476 Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C15H14N6OS/c1-9-8-23-14(19-9)12-6-11(20-15(16)21-12)13(22)18-7-10-4-2-3-5-17-10/h2-6,8H,7H2,1H3,(H,18,22)(H2,16,20,21) ZLJVKUREXANFJJ-UHFFFAOYSA-N 35787 pyrimidine-4-carboxamide, 38 Adenosine receptor A2a Homo sapiens 47 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35787&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11313388 85856580 ZINC45352462 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63477 Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1 InChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22) JEPXTONICDQEJX-UHFFFAOYSA-N 35788 pyrimidine-4-carboxamide, 57 Adenosine receptor A2a Homo sapiens 14 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35788&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520942 85856581 ZINC45353754 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63478 Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1 InChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23) VYYOZWHQGQCBOI-UHFFFAOYSA-N 35789 pyrimidine-4-carboxamide, 59 Adenosine receptor A2a Homo sapiens 17 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35789&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520943 85856582 ZINC45393416 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63479 Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1 InChI=1S/C17H14FN5O/c18-12-5-3-4-11(8-12)14-9-15(23-17(19)22-14)16(24)21-10-13-6-1-2-7-20-13/h1-9H,10H2,(H,21,24)(H2,19,22,23) KFWWKUUBQRSFND-UHFFFAOYSA-N 35790 pyrimidine-4-carboxamide, 61 Adenosine receptor A2a Homo sapiens 18 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35790&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520944 85856583 ZINC45348885 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63480 Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1 InChI=1S/C17H14ClN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23) ZOBXTLODGZOFPM-UHFFFAOYSA-N 35791 pyrimidine-4-carboxamide, 63 Adenosine receptor A2a Homo sapiens 31 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35791&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520945 85856584 ZINC45351391 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63481 Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1 InChI=1S/C17H14ClN5O/c18-12-5-3-4-11(8-12)14-9-15(23-17(19)22-14)16(24)21-10-13-6-1-2-7-20-13/h1-9H,10H2,(H,21,24)(H2,19,22,23) MZLFUELYEBOKJZ-UHFFFAOYSA-N 35792 pyrimidine-4-carboxamide, 65 Adenosine receptor A2a Homo sapiens 31 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35792&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520946 85856585 ZINC45388436 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63482 Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-6-2-3-8-14(12)15-10-16(23-18(19)22-15)17(24)21-11-13-7-4-5-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) BRHAJSILNCYGDB-UHFFFAOYSA-N 35793 pyrimidine-4-carboxamide, 67 Adenosine receptor A2a Homo sapiens 49 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35793&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520947 85856586 ZINC45349605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63483 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-5-4-6-13(9-12)15-10-16(23-18(19)22-15)17(24)21-11-14-7-2-3-8-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) DYMSEOCOAQDMJQ-UHFFFAOYSA-N 35794 pyrimidine-4-carboxamide, 69 Adenosine receptor A2a Homo sapiens 18 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35794&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520948 85856587 ZINC45339854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63484 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O/c1-12-5-7-13(8-6-12)15-10-16(23-18(19)22-15)17(24)21-11-14-4-2-3-9-20-14/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) FINPWYXFHAASPZ-UHFFFAOYSA-N 35795 pyrimidine-4-carboxamide, 71 Adenosine receptor A2a Homo sapiens 36 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35795&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520949 85856588 ZINC45348644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63485 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-16-8-3-2-7-13(16)14-10-15(23-18(19)22-14)17(24)21-11-12-6-4-5-9-20-12/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) ZVYYCMRDDCYZAU-UHFFFAOYSA-N 35796 pyrimidine-4-carboxamide, 73 Adenosine receptor A2a Homo sapiens 57 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35796&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520950 85856589 ZINC45391240 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63486 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-14-7-4-5-12(9-14)15-10-16(23-18(19)22-15)17(24)21-11-13-6-2-3-8-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) AWIQRLYARUXAKO-UHFFFAOYSA-N 35797 pyrimidine-4-carboxamide, 75 Adenosine receptor A2a Homo sapiens 28 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35797&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520951 85856590 ZINC45339713 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63487 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C18H17N5O2/c1-25-14-7-5-12(6-8-14)15-10-16(23-18(19)22-15)17(24)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) POKSLRNNWIKCRY-UHFFFAOYSA-N 35798 pyrimidine-4-carboxamide, 77 Adenosine receptor A2a Homo sapiens 153 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520952 85856591 ZINC45358431 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63488 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C19H19N5O/c1-2-13-7-3-4-9-15(13)16-11-17(24-19(20)23-16)18(25)22-12-14-8-5-6-10-21-14/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24) JMEKQHQAVWJJPL-UHFFFAOYSA-N 35799 pyrimidine-4-carboxamide, 79 Adenosine receptor A2a Homo sapiens 92 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35799&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520953 85856592 ZINC45349983 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63489 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C19H19N5O2/c1-2-26-17-9-4-3-8-14(17)15-11-16(24-19(20)23-15)18(25)22-12-13-7-5-6-10-21-13/h3-11H,2,12H2,1H3,(H,22,25)(H2,20,23,24) OKSUQKCATVFMCK-UHFFFAOYSA-N 35800 pyrimidine-4-carboxamide, 81 Adenosine receptor A2a Homo sapiens 253 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35800&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520954 85856593 ZINC45393682 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63490 Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1 InChI=1S/C18H14N6O/c19-10-12-5-1-2-7-14(12)15-9-16(24-18(20)23-15)17(25)22-11-13-6-3-4-8-21-13/h1-9H,11H2,(H,22,25)(H2,20,23,24) OIVQQVIEMBGOIS-UHFFFAOYSA-N 35801 pyrimidine-4-carboxamide, 83 Adenosine receptor A2a Homo sapiens 255 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35801&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520955 85856594 ZINC45390087 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63491 Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1 InChI=1S/C18H14N6O/c19-10-12-4-3-5-13(8-12)15-9-16(24-18(20)23-15)17(25)22-11-14-6-1-2-7-21-14/h1-9H,11H2,(H,22,25)(H2,20,23,24) VUEUUBBKHHONJA-UHFFFAOYSA-N 35802 pyrimidine-4-carboxamide, 85 Adenosine receptor A2a Homo sapiens 128 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35802&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11427490 85856595 ZINC45386266 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63492 COc1cc(nc(N)n1)C(=O)NCc1ccccn1 InChI=1S/C12H13N5O2/c1-19-10-6-9(16-12(13)17-10)11(18)15-7-8-4-2-3-5-14-8/h2-6H,7H2,1H3,(H,15,18)(H2,13,16,17) HKDRLLSZDIGQIK-UHFFFAOYSA-N 35803 pyrimidine-4-carboxamide, 87 Adenosine receptor A2a Homo sapiens 3290 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35803&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520956 85856596 ZINC45393361 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63523 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F InChI=1S/C18H16FN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) OMKGDUNXJZBSSX-UHFFFAOYSA-N 35805 pyrimidine-4-carboxamide, 60 Adenosine receptor A2a Homo sapiens 14 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35805&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520957 85856598 ZINC45340214 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63524 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1 InChI=1S/C18H16FN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) ZHVWEQPYUMWWRM-UHFFFAOYSA-N 35806 pyrimidine-4-carboxamide, 62 Adenosine receptor A2a Homo sapiens 9 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35806&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520958 85856599 ZINC45347312 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63525 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl InChI=1S/C18H16ClN5O/c1-11-5-4-8-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) AZTIAPCDZAYYTP-UHFFFAOYSA-N 35807 pyrimidine-4-carboxamide, 64 Adenosine receptor A2a Homo sapiens 24 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35807&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520959 85856600 ZINC45348003 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63526 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1 InChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24) UEEYBUDDHSTDBQ-UHFFFAOYSA-N 35808 pyrimidine-4-carboxamide, 66 Adenosine receptor A2a Homo sapiens 23 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35808&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520960 85856601 ZINC45348491 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63527 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C InChI=1S/C19H19N5O/c1-12-6-3-4-8-14(12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)7-5-9-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) VQJMRQUZONINAW-UHFFFAOYSA-N 35809 pyrimidine-4-carboxamide, 68 Adenosine receptor A2a Homo sapiens 28 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11302050 85856602 ZINC45393762 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63528 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) KBDRHCFCSHAAEU-UHFFFAOYSA-N 35810 pyrimidine-4-carboxamide, 70 Adenosine receptor A2a Homo sapiens 9 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35810&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520961 85856603 ZINC45348299 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63529 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O/c1-12-5-7-14(8-6-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)4-3-9-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) CCIDSDCHIWRPAJ-UHFFFAOYSA-N 35811 pyrimidine-4-carboxamide, 72 Adenosine receptor A2a Homo sapiens 16 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35811&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520962 85856604 ZINC45350874 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63530 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-6-5-9-21-16(12)11-22-18(25)15-10-14(23-19(20)24-15)13-7-3-4-8-17(13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) SKIXXTANEXOQMD-UHFFFAOYSA-N 35812 pyrimidine-4-carboxamide, 74 Adenosine receptor A2a Homo sapiens 30 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520963 85856605 ZINC45348578 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63531 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) BOJBVPSBZMUXPG-UHFFFAOYSA-N 35813 pyrimidine-4-carboxamide, 76 Adenosine receptor A2a Homo sapiens 24 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35813&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520964 85856606 ZINC45340229 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63532 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C19H19N5O2/c1-12-4-3-9-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-5-7-14(26-2)8-6-13/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24) WZCBNYKLBHHBIU-UHFFFAOYSA-N 35814 pyrimidine-4-carboxamide, 78 Adenosine receptor A2a Homo sapiens 155 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35814&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520965 85856607 ZINC45352658 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63533 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C20H21N5O/c1-3-14-8-4-5-9-15(14)16-11-17(25-20(21)24-16)19(26)23-12-18-13(2)7-6-10-22-18/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25) ANWQSYZVEBWUCN-UHFFFAOYSA-N 35815 pyrimidine-4-carboxamide, 80 Adenosine receptor A2a Homo sapiens 107 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35815&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520966 85856608 ZINC45348038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63534 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C20H21N5O2/c1-3-27-18-9-5-4-8-14(18)15-11-16(25-20(21)24-15)19(26)23-12-17-13(2)7-6-10-22-17/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25) PZIMWNVGBTWRON-UHFFFAOYSA-N 35816 pyrimidine-4-carboxamide, 82 Adenosine receptor A2a Homo sapiens 107 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520967 85856609 ZINC45349259 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63535 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N InChI=1S/C19H16N6O/c1-12-5-4-8-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-7-3-2-6-13(14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25) HRZQUYPTNWLNOJ-UHFFFAOYSA-N 35817 pyrimidine-4-carboxamide, 84 Adenosine receptor A2a Homo sapiens 123 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520968 85856610 ZINC45348183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63536 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N InChI=1S/C19H16N6O/c1-12-4-3-7-22-17(12)11-23-18(26)16-9-15(24-19(21)25-16)14-6-2-5-13(8-14)10-20/h2-9H,11H2,1H3,(H,23,26)(H2,21,24,25) JUZVEXMCTHOVQC-UHFFFAOYSA-N 35818 pyrimidine-4-carboxamide, 86 Adenosine receptor A2a Homo sapiens 29 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520969 85856611 ZINC45348186 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63537 COc1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C13H15N5O2/c1-8-4-3-5-15-10(8)7-16-12(19)9-6-11(20-2)18-13(14)17-9/h3-6H,7H2,1-2H3,(H,16,19)(H2,14,17,18) FUTWRVQKLRHQKJ-UHFFFAOYSA-N 35819 pyrimidine-4-carboxamide, 88 Adenosine receptor A2a Homo sapiens 2450 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520970 85856612 ZINC45393396 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63538 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C InChI=1S/C17H17N5O2/c1-10-6-7-13(24-10)14-11(2)15(22-17(18)21-14)16(23)20-9-12-5-3-4-8-19-12/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22) YRCMAVSQCRYFRB-UHFFFAOYSA-N 35820 pyrimidine-4-carboxamide, 91 Adenosine receptor A2a Homo sapiens 12 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35820&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520971 85856613 ZINC45365889 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63539 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C18H19N5O2/c1-3-13-15(14-8-7-11(2)25-14)22-18(19)23-16(13)17(24)21-10-12-6-4-5-9-20-12/h4-9H,3,10H2,1-2H3,(H,21,24)(H2,19,22,23) HZJBTXVDTJIKKZ-UHFFFAOYSA-N 35821 pyrimidine-4-carboxamide, 93 Adenosine receptor A2a Homo sapiens 25 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520972 85856614 ZINC45348581 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63540 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C InChI=1S/C18H19N5O2/c1-10-5-4-8-20-13(10)9-21-17(24)16-12(3)15(22-18(19)23-16)14-7-6-11(2)25-14/h4-8H,9H2,1-3H3,(H,21,24)(H2,19,22,23) CIVPEXGIYUUOTF-UHFFFAOYSA-N 35822 pyrimidine-4-carboxamide, 92 Adenosine receptor A2a Homo sapiens 155 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35822&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520973 85856615 ZINC45339922 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63541 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C InChI=1S/C19H21N5O2/c1-4-13-16(15-8-7-12(3)26-15)23-19(20)24-17(13)18(25)22-10-14-11(2)6-5-9-21-14/h5-9H,4,10H2,1-3H3,(H,22,25)(H2,20,23,24) YOVOVQDSVQMVGL-UHFFFAOYSA-N 35823 pyrimidine-4-carboxamide, 94 Adenosine receptor A2a Homo sapiens 183 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35823&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520974 85856616 ZINC45393421 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63542 Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1 InChI=1S/C16H14N4O2/c1-11-5-6-15(22-11)13-8-14(20-10-19-13)16(21)18-9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,21) WIWUJNVPPHZIBJ-UHFFFAOYSA-N 35824 pyrimidine-4-carboxamide, 101 Adenosine receptor A2a Homo sapiens 97 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35824&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520975 85856617 ZINC45348044 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63543 Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1 InChI=1S/C17H16N4O2/c1-11-6-7-16(23-11)14-9-15(21-12(2)20-14)17(22)19-10-13-5-3-4-8-18-13/h3-9H,10H2,1-2H3,(H,19,22) IUZJLAZMQMGQLI-UHFFFAOYSA-N 35825 pyrimidine-4-carboxamide, 102 Adenosine receptor A2a Homo sapiens 1117 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35825&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11404060 85856618 ZINC45348047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63463 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl InChI=1S/C15H12ClN5O2/c16-10-5-2-1-4-9(10)8-18-14(22)13-19-12(20-15(17)21-13)11-6-3-7-23-11/h1-7H,8H2,(H,18,22)(H2,17,19,20,21) AGTOBZALEHSBGN-UHFFFAOYSA-N 35774 triazine-4-carboxamide, 6 Adenosine receptor A2a Homo sapiens 4.9 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520931 85856567 ZINC45386239 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63464 Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-5-2-3-6-11(10)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) YXYNAESRRXRVGH-UHFFFAOYSA-N 35775 triazine-4-carboxamide, 7 Adenosine receptor A2a Homo sapiens 12.3 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520932 85856568 ZINC45350838 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63465 Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1 InChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) MBBZWYJSVSKEGK-UHFFFAOYSA-N 35776 triazine-4-carboxamide, 8 Adenosine receptor A2a Homo sapiens 7.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520933 85856569 ZINC45351602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63466 COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21) SVNKUTHNUMDRJT-UHFFFAOYSA-N 35777 triazine-4-carboxamide, 9 Adenosine receptor A2a Homo sapiens 6.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35777&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520934 85856570 ZINC45348000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63467 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1 InChI=1S/C14H12N6O2/c15-14-19-11(10-5-3-7-22-10)18-12(20-14)13(21)17-8-9-4-1-2-6-16-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HGJLLUQYSGTCKV-UHFFFAOYSA-N 35778 triazine-4-carboxamide, 10 Adenosine receptor A2a Homo sapiens 25 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520935 85856571 ZINC45389515 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63468 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1 InChI=1S/C14H12N6O2/c15-14-19-11(10-4-2-6-22-10)18-12(20-14)13(21)17-8-9-3-1-5-16-7-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HHWVHFMQYVXKIH-UHFFFAOYSA-N 35779 triazine-4-carboxamide, 11 Adenosine receptor A2a Homo sapiens 88 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35779&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520936 85856572 ZINC45352628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63469 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1 InChI=1S/C14H12N6O2/c15-14-19-11(10-2-1-7-22-10)18-12(20-14)13(21)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20) HOVBRZHJQAGWFD-UHFFFAOYSA-N 35780 triazine-4-carboxamide, 12 Adenosine receptor A2a Homo sapiens 420 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35780&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520937 85856573 ZINC45353750 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63470 Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1 InChI=1S/C15H14N6O2/c1-9-4-2-6-17-10(9)8-18-14(22)13-19-12(20-15(16)21-13)11-5-3-7-23-11/h2-7H,8H2,1H3,(H,18,22)(H2,16,19,20,21) AIOIYFXDTRSDOY-UHFFFAOYSA-N 35781 triazine-4-carboxamide, 13 Adenosine receptor A2a Homo sapiens 18.6 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35781&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520938 85856574 ZINC45347440 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63471 COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1 InChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22) AUBIOACYLHNVOM-UHFFFAOYSA-N 35782 triazine-4-carboxamide, 14 Adenosine receptor A2a Homo sapiens 8.8 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35782&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520939 85856575 ZINC45348330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63472 Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1 InChI=1S/C17H16N4O2/c1-11-4-2-6-19-14(11)10-20-17(22)12-8-13(21-16(18)9-12)15-5-3-7-23-15/h2-9H,10H2,1H3,(H2,18,21)(H,20,22) RMUWNKIJDZFMFI-UHFFFAOYSA-N 35783 pyridyl derivative, 15 Adenosine receptor A2a Homo sapiens 126 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35783&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520940 85856576 ZINC45389598 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63473 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) ALJHDNNRZIJMJX-UHFFFAOYSA-N 35784 pyrimidine-4-carboxamide, 19::pyrimidine-4-carboxamide, 26 Adenosine receptor A2a Homo sapiens 2.8 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35784&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11220580 85856577 ZINC45349497 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63544 CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C19H20N4O2/c1-12(2)18-22-15(17-8-7-13(3)25-17)10-16(23-18)19(24)21-11-14-6-4-5-9-20-14/h4-10,12H,11H2,1-3H3,(H,21,24) DLQORZCPFGRCDA-UHFFFAOYSA-N 35826 pyrimidine-4-carboxamide, 103 Adenosine receptor A2a Homo sapiens 1725 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35826&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11290634 85856619 ZINC45348851 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63545 CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C17H17N5O2/c1-11-6-7-15(24-11)13-9-14(22-17(18-2)21-13)16(23)20-10-12-5-3-4-8-19-12/h3-9H,10H2,1-2H3,(H,20,23)(H,18,21,22) HBWXRCCGCWQONM-UHFFFAOYSA-N 35827 pyrimidine-4-carboxamide, 109 Adenosine receptor A2a Homo sapiens 63 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35827&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11324754 85856620 ZINC45390043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63546 CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1 InChI=1S/C18H19N5O2/c1-12-7-8-16(25-12)14-10-15(22-18(21-14)23(2)3)17(24)20-11-13-6-4-5-9-19-13/h4-10H,11H2,1-3H3,(H,20,24) INYFOQAJCACBLY-UHFFFAOYSA-N 35828 pyrimidine-4-carboxamide, 110 Adenosine receptor A2a Homo sapiens 1789 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35828&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11416448 85856621 ZINC45353182 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63547 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1 InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22) JWJMIQCWBFWBLV-UHFFFAOYSA-N 35829 pyrimidine-4-carboxamide, 111 Adenosine receptor A2a Homo sapiens 2.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35829&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520976 85856622 ZINC45387310 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63548 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C InChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) IHJMUJRGBAZKRS-UHFFFAOYSA-N 35830 pyrimidine-4-carboxamide, 112 Adenosine receptor A2a Homo sapiens 3 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520977 85856623 ZINC45394082 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63549 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1 InChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) HPDQBZCPEASACQ-UHFFFAOYSA-N 35831 pyrimidine-4-carboxamide, 113 Adenosine receptor A2a Homo sapiens 9.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520978 85856624 ZINC45392432 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63550 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1 InChI=1S/C18H19N5O2/c1-10-4-6-13(21-12(10)3)9-20-17(24)15-8-14(22-18(19)23-15)16-7-5-11(2)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23) YRRBXUFUNLNHRS-UHFFFAOYSA-N 35832 pyrimidine-4-carboxamide, 114 Adenosine receptor A2a Homo sapiens 3 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35832&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520979 85856625 ZINC45392875 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63551 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20) ZGQWFONFARBCNF-UHFFFAOYSA-N 35833 pyrimidine-4-carboxamide, 115 Adenosine receptor A2a Homo sapiens 2.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35833&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520980 85856626 ZINC45339917 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63552 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1 InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20) OHYATDXPRIBEDD-UHFFFAOYSA-N 35834 pyrimidine-4-carboxamide, 116 Adenosine receptor A2a Homo sapiens 2 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35834&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520981 85856627 ZINC45365893 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63564 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1 InChI=1S/C16H15N5O2/c1-10-4-2-6-18-13(10)9-19-15(22)12-8-11(20-16(17)21-12)14-5-3-7-23-14/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21) ALJHDNNRZIJMJX-UHFFFAOYSA-N 35784 pyrimidine-4-carboxamide, 19::pyrimidine-4-carboxamide, 26 Adenosine receptor A2a Homo sapiens 2.8 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35784&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11220580 85856577 ZINC45349497 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63565 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C InChI=1S/C17H17N5O2/c1-10-4-3-7-19-14(10)9-20-16(23)13-8-12(21-17(18)22-13)15-6-5-11(2)24-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22) DXUBNDHKMQSSDJ-UHFFFAOYSA-N 35843 pyrimidine-4-carboxamide, 28 Adenosine receptor A2a Homo sapiens 3 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35843&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520987 85856636 ZINC45390104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63566 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1 InChI=1S/C15H14N6OS/c1-9-3-2-4-17-12(9)8-19-13(22)10-7-11(21-15(16)20-10)14-18-5-6-23-14/h2-7H,8H2,1H3,(H,19,22)(H2,16,20,21) ZIBFIKFAZLBDKX-UHFFFAOYSA-N 35844 pyrimidine-4-carboxamide, 37 Adenosine receptor A2a Homo sapiens 586 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35844&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11404621 85856637 ZINC62260193 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63567 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1 InChI=1S/C18H17N5O/c1-12-6-5-9-20-16(12)11-21-17(24)15-10-14(22-18(19)23-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,21,24)(H2,19,22,23) UKTAKBCSHJYUMF-UHFFFAOYSA-N 35845 pyrimidine-4-carboxamide, 58 Adenosine receptor A2a Homo sapiens 6 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35845&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520988 85856638 ZINC45339715 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63568 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C InChI=1S/C17H19N5O2/c1-10-4-6-12(22(10)3)9-19-16(23)14-8-13(20-17(18)21-14)15-7-5-11(2)24-15/h4-8H,9H2,1-3H3,(H,19,23)(H2,18,20,21) LEABFFRGVMYHEL-UHFFFAOYSA-N 35835 pyrimidine-4-carboxamide, 117 Adenosine receptor A2a Homo sapiens 5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35835&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11381773 85856628 ZINC45393653 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63569 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1 InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20) HHRCJSSFNCDUDD-UHFFFAOYSA-N 35836 pyrimidine-4-carboxamide, 118 Adenosine receptor A2a Homo sapiens 1 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520982 85856629 ZINC45339940 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63570 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21) QSZUYZGRKRZVOG-UHFFFAOYSA-N 35837 pyrimidine-4-carboxamide, 119 Adenosine receptor A2a Homo sapiens 3.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35837&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520983 85856630 ZINC45389757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63571 CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C17H20N6O2/c1-3-7-23-8-6-19-15(23)10-20-16(24)13-9-12(21-17(18)22-13)14-5-4-11(2)25-14/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,24)(H2,18,21,22) PAFRDJZWUBUWJO-UHFFFAOYSA-N 35838 pyrimidine-4-carboxamide, 120 Adenosine receptor A2a Homo sapiens 6 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35838&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520984 85856631 ZINC45350929 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63572 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1 InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22) FOBLNBXDRQYXQV-UHFFFAOYSA-N 35839 pyrimidine-4-carboxamide, 121 Adenosine receptor A2a Homo sapiens 5.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35839&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520985 85856632 ZINC45350933 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63573 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1 InChI=1S/C15H15N5O3/c1-8-3-4-13(22-8)11-6-12(19-15(16)18-11)14(21)17-7-10-5-9(2)23-20-10/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19) XLBMHRLYCRFBSP-UHFFFAOYSA-N 35840 pyrimidine-4-carboxamide, 122 Adenosine receptor A2a Homo sapiens 8.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11232232 85856633 ZINC45349100 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 63574 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1 InChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20) IASIGJTVTSPGAJ-UHFFFAOYSA-N 35841 pyrimidine-4-carboxamide, 123 Adenosine receptor A2a Homo sapiens 6.5 Curated from the literature by BindingDB 10.1016/j.bmc.2009.07.078 10.7270/Q27M069H 19695884 aid1799343 Gillespie, RJ; Bamford, SJ; Clay, A; Gaur, S; Haymes, T; Jackson, PS; Jordan, AM; Klenke, B; Leonardi, S; Liu, J; Mansell, HL; Ng, S; Saadi, M; Simmonite, H; Stratton, GC; Todd, RS; Williamson, DS; Yule, IA Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35841&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520986 85856634 ZINC62260191 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111251 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 21.4 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111252 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.84 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111253 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111254 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A2a Homo sapiens 4510 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111255 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A2a Homo sapiens 11000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111256 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A2a Homo sapiens 46100 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111257 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A2a Homo sapiens 74200 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111258 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111259 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111260 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A2a Homo sapiens 2110 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111261 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111262 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A2a Homo sapiens 2590 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111263 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 KEGQUROXCLNXBX-KSVNGYGVSA-N 59209 Adenosine analog, 14 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348053 125082175 ZINC70460338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111264 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111265 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111266 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111267 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111268 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111269 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.91 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111270 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111271 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A2a Homo sapiens 5680 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111272 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A2a Homo sapiens 32800 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111273 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A2a Homo sapiens 4400 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111274 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A2a Homo sapiens 57600 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111275 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111276 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111277 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A2a Homo sapiens 3870 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111278 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111279 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111280 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 KEGQUROXCLNXBX-KSVNGYGVSA-N 59209 Adenosine analog, 14 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348053 125082175 ZINC70460338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111281 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111282 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111283 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111284 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111285 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 1.5 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111286 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.35 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111287 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111288 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A2a Homo sapiens 773 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111289 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A2a Homo sapiens 16.4 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111290 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A2a Homo sapiens 3600 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111291 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A2a Homo sapiens 10800 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111292 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A2a Homo sapiens 55200 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111293 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A2a Homo sapiens 124000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111294 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A2a Homo sapiens 41.7 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111295 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A2a Homo sapiens 545 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111296 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A2a Homo sapiens 246 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111297 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens 443 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111298 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens 444 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111299 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111300 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111301 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111302 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 9.3 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111303 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.45 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111304 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111305 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A2a Homo sapiens 1140 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111306 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A2a Homo sapiens 1180 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111307 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A2a Homo sapiens 493 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111308 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A2a Homo sapiens 4140 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111309 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A2a Homo sapiens 48100 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111310 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111311 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A2a Homo sapiens 13300 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111312 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111313 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A2a Homo sapiens 3470 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111314 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 KEGQUROXCLNXBX-KSVNGYGVSA-N 59209 Adenosine analog, 14 Adenosine receptor A2a Homo sapiens 320 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348053 125082175 ZINC70460338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111315 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens 6090 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111316 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111317 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111318 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A2a Homo sapiens >100000 7.4 25.00 C Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799499 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111336 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 2.2 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111337 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 InChI=1S/C13H19N7O4/c1-15-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(16-3-2-14)17-4-18-11(6)20/h4-5,7-9,13,21-22H,2-3,14H2,1H3,(H,15,23)(H,16,17,18)/t7-,8+,9-,13+/m0/s1 DTOLQAAOQFVVFW-QRIDJOKKSA-N 59202 Adenosine analog, 5 Adenosine receptor A2a Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348047 125082168 ZINC70460327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111338 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N=C(N)N)ncnc12 InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 QMUIGEKTFVSTGA-FLNNQWSLSA-N 50208817 (2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::Adenosine analog, 6::CHEMBL376542 Adenosine receptor A2a Homo sapiens 628 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420926 104085776 CHEMBL376542 ZINC28636726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111339 NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 DBXIKHHFPUCMQL-LKCKTBJASA-N 50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606 Adenosine receptor A2a Homo sapiens 2230 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50185934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50185934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44410673 104070004 CHEMBL378606 ZINC13686330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111340 NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 XZUQLQNOMFGRFJ-FLNNQWSLSA-N 50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903 Adenosine receptor A2a Homo sapiens 3120 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106539 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106539&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5A 6CYH,2HCH 9996282 104002061 CHEMBL129903 ZINC12405551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111341 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C13H19N7O4/c14-2-1-3-16-12(23)9-7(21)8(22)13(24-9)20-5-19-6-10(15)17-4-18-11(6)20/h4-5,7-9,13,21-22H,1-3,14H2,(H,16,23)(H2,15,17,18)/t7-,8+,9-,13+/m0/s1 JLQSFLXHRJZVNM-QRIDJOKKSA-N 59203 Adenosine analog, 8 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348048 125082169 ZINC70460328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111342 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H21N7O4/c15-3-1-2-4-17-13(24)10-8(22)9(23)14(25-10)21-6-20-7-11(16)18-5-19-12(7)21/h5-6,8-10,14,22-23H,1-4,15H2,(H,17,24)(H2,16,18,19)/t8-,9+,10-,14+/m0/s1 FMPFVQVSAXMKDU-AEISUSGSSA-N 59204 Adenosine analog, 9 Adenosine receptor A2a Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348049 125082170 ZINC70460329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111343 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C15H23N7O4/c16-4-2-1-3-5-18-14(25)11-9(23)10(24)15(26-11)22-7-21-8-12(17)19-6-20-13(8)22/h6-7,9-11,15,23-24H,1-5,16H2,(H,18,25)(H2,17,19,20)/t9-,10+,11-,15+/m0/s1 PAEOZPIVFGUKPF-BQVMBELUSA-N 59205 Adenosine analog, 10 Adenosine receptor A2a Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348050 125082171 ZINC70460330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111344 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 YLPQAZPIFSHMAY-FLNNQWSLSA-N 59206 Adenosine analog, 11 Adenosine receptor A2a Homo sapiens 505 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59206&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search N5O 6CYI,6CYG,2HG1 215492 125082172 C04080 ZINC16052124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111345 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN InChI=1S/C18H21N7O4/c1-9-4-2-3-5-10(9)6-20-15-11-16(22-7-21-15)25(8-23-11)18-13(27)12(26)14(29-18)17(28)24-19/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,24,28)(H,20,21,22)/t12-,13+,14-,18+/m0/s1 FCSCDOVNNDCDKF-MOROJQBDSA-N 59207 Adenosine analog, 12 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59207&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348051 125082173 ZINC70460332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111346 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 HBTMNVJREDWGSK-KSVNGYGVSA-N 59208 Adenosine analog, 13 Adenosine receptor A2a Homo sapiens 5430 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348052 125082174 ZINC70460336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111347 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN InChI=1S/C20H25N7O4/c1-11-4-2-3-5-12(11)8-23-17-13-18(25-9-24-17)27(10-26-13)20-15(29)14(28)16(31-20)19(30)22-7-6-21/h2-5,9-10,14-16,20,28-29H,6-8,21H2,1H3,(H,22,30)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 KEGQUROXCLNXBX-KSVNGYGVSA-N 59209 Adenosine analog, 14 Adenosine receptor A2a Homo sapiens 55900 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348053 125082175 ZINC70460338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111348 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO InChI=1S/C20H24N6O5/c1-11-4-2-3-5-12(11)8-22-17-13-18(24-9-23-17)26(10-25-13)20-15(29)14(28)16(31-20)19(30)21-6-7-27/h2-5,9-10,14-16,20,27-29H,6-8H2,1H3,(H,21,30)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 WUVAIRDBJKHCIR-KSVNGYGVSA-N 59210 Adenosine analog, 15 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348054 125082176 C04080 ZINC70460341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111349 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 OOEMZCZWZXHBKW-SCFUHWHPSA-N 50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil Adenosine receptor A2a Homo sapiens 764 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080390&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 65710 103980561 CHEMBL331382 426 ZINC04216929 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111350 CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 XTJPMALIPQWXDY-KQYNXXCUSA-N 50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401604 104049114 CHEMBL194830 ZINC13611525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111351 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C12H18N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,2-3,13H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1 DZHOOXNMNPJRGD-JJNLEZRASA-N 59211 Adenosine analog, 18 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348055 125082177 ZINC70460345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 111352 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N InChI=1S/C12H17N7O4/c1-15-9-5-11(18-10(17-9)8(13)14)19(3-16-5)12-7(22)6(21)4(2-20)23-12/h3-4,6-7,12,20-22H,2H2,1H3,(H3,13,14)(H,15,17,18)/t4-,6-,7-,12-/m1/s1 NLKPPHOTIAKVAY-AWVSEGNVSA-N 59212 Adenosine analog, 19 Adenosine receptor A2a Homo sapiens >10000 Curated from the literature by BindingDB 10.1016/j.chembiol.2004.12.010 10.7270/Q2P26WK5 15734651 aid1799500 Jacobson, KA; Ohno, M; Duong, HT; Kim, SK; Tchilibon, S; Cesnek, M; Holý, A; Gao, ZG National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=59212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53348056 125082178 ZINC70460347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158354 CCn1c2nc[nH]c2c(=O)n(CC)c1=O InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11) GIMNFISWKTZFKJ-UHFFFAOYSA-N 82021 1,3-Diethylxanthine::CAS_101420::CHEMBL416013::NSC_101420 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 101420 131342595 CHEMBL416013 ZINC00014106 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158355 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19) CLIGSMOZKDCDRZ-UHFFFAOYSA-N 82025 1,3-Dipropyl-8-phenylxanthine::8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CAS_128784::CHEMBL158507::NSC_128784 Adenosine receptor A2a Homo sapiens 180 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 128784 131342599 CHEMBL158507 ZINC03995438 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158356 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13) MJVIGUCNSRXAFO-UHFFFAOYSA-N 82032 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione::1,3-Dipropylxanthine::CAS_169317::CHEMBL157655::CPX::NSC_169317 Adenosine receptor A2a Homo sapiens 5160 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 169317 131342606 CHEMBL157655 427 ZINC04654890 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158358 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N 10850 1-(5-Oxohexyl)theobromine (pentoxifylline)::3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione::CHEMBL628::Pentoxifylline::Pentoxil::Pentoxyphylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10850&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search PNX 3TVX,3ARR,3ARU,2A3C 4740 46511426 CHEMBL628 DB00806 7095 C07424 ZINC01530776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158359 CCCCn1c(=O)n(C)c2ncn(C)c2c1=O InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3 ZCUPBJOZMPROIJ-UHFFFAOYSA-N 82046 1-Butyltheobromine::CAS_70835::NSC_70835 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82046&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 70835 131342620 ZINC01666588 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158360 CCn1c(=O)n(C)c2ncn(C)c2c1=O InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3 KRVVZPXPQUPXJE-UHFFFAOYSA-N 82033 1-Ethyltheobromine::CAS_93219::NSC_93219 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82033&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 93219 131342607 ZINC13282258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158362 Cn1c(=O)[nH]c2nc[nH]c2c1=O InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3 SNXCZWZKBPOLIM-UHFFFAOYSA-N 82020 1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xanthine)::1-Methylxanthine::CAS_80220::CHEMBL1250::NSC_80220 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 80220 131342594 68444 CHEMBL1250 C16358 ZINC13517144 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158369 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N 50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50014260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014260&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 37T 7VRO,7VRQ,6ICQ,2EFJ 5429 103926282 28946 CHEMBL1114 DB01412 C07480 ZINC00002151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158370 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) APIXJSLKIYYUKG-UHFFFAOYSA-N 15336 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione::3-Isobutyl-1-methylxanthine::CHEMBL275084::IBMX::isobutylmethylxanthine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15336&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1RKP,1SOJ,1ZKL,1ZKN,2HD1,2YY2 3758 46515641 34795 CHEMBL275084 388 C13708 ZINC03861807 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158371 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158377 Cn1c2ncn(CCCl)c2c(=O)n(C)c1=O InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3 QCIARNIKNKKHFH-UHFFFAOYSA-N 50025584 7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::7-(2-Chloroethyl)theophylline::CHEMBL23903 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025584&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1882 103935456 CHEMBL23903 ZINC00000999 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158379 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21) DKUGQQPPPJNXNP-UHFFFAOYSA-N 50021004 8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-(2,4-Diaminophenyl)-1,3-dipropylxanthine::CHEMBL415971 Adenosine receptor A2a Homo sapiens 214 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50021004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50021004&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13525044 103931719 CHEMBL415971 ZINC26019290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158380 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) SENJBFBVCXOUFE-UHFFFAOYSA-N 82013 8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione(PACPX)::8-(2-Amino-4-chlorophenyl)-1,3-dipropylxanthine::CAS_92411::CHEMBL273671::NSC_92411::PACPX Adenosine receptor A2a Homo sapiens 91.9 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 92411 131342587 CHEMBL273671 ZINC02516024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158381 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,14H2,1-2H3,(H,15,16) PFYRHBKLMLLPGV-UHFFFAOYSA-N 50020847 8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(2-Aminophenyl)theophylline::CHEMBL11120 Adenosine receptor A2a Homo sapiens 1430 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50020847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50020847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13525064 103931572 CHEMBL11120 ZINC26014686 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158382 Cn1c2[nH]cnc2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 82053 8-(2-Furyl)theophylline::US9138393, Theophylline::US9144538, Theophylline Adenosine receptor A2a Homo sapiens 2780 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 2153 131342627 413 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158383 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1 InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13) XKANLKMBLCBGOJ-UHFFFAOYSA-N 82042 1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,6-dione::8-(2-Thienyl)theophylline::CAS_267102::CHEMBL298625::NSC_267102 Adenosine receptor A2a Homo sapiens 1580 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82042&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 267102 131342616 CHEMBL298625 ZINC17420244 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158384 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)C1CCOC1 InChI=1S/C11H14N4O3/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-3-4-18-5-6/h6H,3-5H2,1-2H3,(H,12,13) LSQHYWKBICIJRM-UHFFFAOYSA-N 82047 8-(3-Furyl)theophylline Adenosine receptor A2a Homo sapiens 984 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82047&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20133499 131342621 ZINC03777115 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158385 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(N)cc1 InChI=1S/C13H13N5O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,14H2,1-2H3,(H,15,16) LWDNIXPAGBUFTP-UHFFFAOYSA-N 50020852 8-(4-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-Aminophenyl)theophylline::CHEMBL276830 Adenosine receptor A2a Homo sapiens 391 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50020852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50020852&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13525058 103931577 CHEMBL276830 ZINC26015683 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158386 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C(O)=O InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21) VOGIMZNURUXDIJ-UHFFFAOYSA-N 50018159 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid::8-(4-Carboxyphenyl)theophylline::CHEMBL11048 Adenosine receptor A2a Homo sapiens 7260 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018159&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 135109 103929335 CHEMBL11048 ZINC05116614 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158387 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1 InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16) PJMZAQWLPMVOMG-UHFFFAOYSA-N 50020988 8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-Chlorophenyl)theophylline::CHEMBL269218 Adenosine receptor A2a Homo sapiens 371 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50020988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50020988&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 323305 103931703 CHEMBL269218 ZINC17105141 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158388 COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16) VPHSVCWZXWNVFF-UHFFFAOYSA-N 50020965 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-Methoxyphenyl)theophylline::8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL11635 Adenosine receptor A2a Homo sapiens 419 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50020965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50020965&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10085373 103931680 CHEMBL11635 ZINC15869361 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158389 Cn1c2[nH]c(nc2c(=O)n(C)c1=O)-c1ccc(cc1)N(=O)=O InChI=1S/C13H11N5O4/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(6-4-7)18(21)22/h3-6H,1-2H3,(H,14,15) GZKNQJOZTRVLIX-UHFFFAOYSA-N 82041 8-(4-Nitrophenyl)theophylline Adenosine receptor A2a Homo sapiens 2520 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82041&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 265603 131342615 C06058 ZINC17380907 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158390 Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) SCVHFRLUNIOSGI-UHFFFAOYSA-N 81925 8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-Cyclopentyltheophylline (CPT)::CAS_1917::CHEMBL106265::CPT::NSC_1917 Adenosine receptor A2a Homo sapiens 1440 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81925&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1917 131342499 CHEMBL106265 385 ZINC15880093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158391 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) PJFMAVHETLRJHJ-UHFFFAOYSA-N 82015 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione::8-Phenyltheophylline::CAS_1922::CHEMBL62350::NSC_1922 Adenosine receptor A2a Homo sapiens 848 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82015&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1922 131342589 CHEMBL62350 ZINC06530699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158392 CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12) LMQXNURVVYWBSR-UHFFFAOYSA-N 69473 1,3-dimethyl-8-propyl-7H-purine-2,6-dione::1,3-dimethyl-8-propyl-7H-purine-2,6-quinone::8-Propyltheophylline::MLS000737462::SMR000528150::cid_76104 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=69473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=69473&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 76104 252647639 ZINC08581166 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158393 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(O)(=O)=O InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22) LXJSJIXZOAMHTG-UHFFFAOYSA-N 82023 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid::8-SPT::CAS_80206-91-3::CHEMBL8488::NSC_1908 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82023&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1908 131342597 CHEMBL8488 ZINC25988464 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158394 CN(C)CCCNS(=O)(=O)c1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 InChI=1S/C19H26N6O4S/c1-23(2)11-5-10-20-30(28,29)14-8-6-13(7-9-14)12-15-21-16-17(22-15)24(3)19(27)25(4)18(16)26/h6-9,20H,5,10-12H2,1-4H3,(H,21,22) CTMBZWKQUSZBCR-UHFFFAOYSA-N 82039 8-{4-[N-(3-Dimethylaminopropyl)-sulfonamido]phenyl}-1,3-Dipropylxanthine (PD 113,297) Adenosine receptor A2a Homo sapiens 70 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82039&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 54592372 131342613 ZINC89454930 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158402 O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1 InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16) HAUGRYOERYOXHX-UHFFFAOYSA-N 82038 Alloxazine::CAS_490-59-5::CHEMBL68500::NSC_99253::cid_5372720 Adenosine receptor A2a Homo sapiens 2720 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82038&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5372720 131342612 37327 CHEMBL68500 456 ZINC18804836 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158403 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158404 CCCCNc1c(cnc2n(CC)ncc12)C(=O)OCC InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2)14(11)17-9-12(13)15(20)21-6-3/h9-10H,4-8H2,1-3H3,(H,16,17) IQNQAOGGWGCROX-UHFFFAOYSA-N 50098221 4-Butylamino-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL8184::Cartazolate::ethyl 4-(butylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 2240 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50098221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50098221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 37015 103995312 CHEMBL8184 ZINC21290032 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158405 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) LVSWNSHUTPWCNF-UHFFFAOYSA-N 81971 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione::CAS_1328::CHEMBL11348::DPX::NSC_1328 Adenosine receptor A2a Homo sapiens 863 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81971&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1328 131342545 CHEMBL11348 445 ZINC09229229 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158417 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158418 CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12 InChI=1S/C16H24N4O2/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3/h10H,5-9H2,1-4H3,(H,17,19) PCTRYMLLRKWXGF-UHFFFAOYSA-N 82043 CAS_5522::NSC_5522::Tracazolate Adenosine receptor A2a Homo sapiens 1560 PDSP Ki 10.7270/Q2MK6BDV 3010074 Bruns, RF; Lu, GH; Pugsley, TA Warner-Lambert/Parke-Davis Pharmaceutical Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82043&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5522 131342617 5467 ZINC26568953 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158529 OC[C@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13-/m1/s1 VNLBSPUULCIVCQ-CHWSQXEVSA-N 82067 alpha-ddCHA Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/0014-2999(88)90158-6 10.7270/Q2V40SQP 3208837 Lohse, MJ; Klotz, KN; Diekmann, E; Friedrich, K; Schwabe, U Pharmakologisches Institut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82067&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 54592375 131342641 ZINC03645000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158530 OC[C@@H]1CC[C@@H](O1)n1cnc2c(NC3CCCCC3)ncnc12 InChI=1S/C16H23N5O2/c22-8-12-6-7-13(23-12)21-10-19-14-15(17-9-18-16(14)21)20-11-4-2-1-3-5-11/h9-13,22H,1-8H2,(H,17,18,20)/t12-,13+/m0/s1 VNLBSPUULCIVCQ-QWHCGFSZSA-N 82066 ddCHA Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/0014-2999(88)90158-6 10.7270/Q2V40SQP 3208837 Lohse, MJ; Klotz, KN; Diekmann, E; Friedrich, K; Schwabe, U Pharmakologisches Institut http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82066&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 54401038 131342640 ZINC87721910 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 157518 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 330 PDSP Ki 10.1007/bf00165806 10.7270/Q26H4FXN 2825043 Lohse, MJ; Klotz, KN; Lindenborn-Fotinos, J; Reddington, M; Schwabe, U; Olsson, RA Universität Heidelberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 157519 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) LVSWNSHUTPWCNF-UHFFFAOYSA-N 81971 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione::CAS_1328::CHEMBL11348::DPX::NSC_1328 Adenosine receptor A2a Homo sapiens 210 PDSP Ki 10.1007/bf00165806 10.7270/Q26H4FXN 2825043 Lohse, MJ; Klotz, KN; Lindenborn-Fotinos, J; Reddington, M; Schwabe, U; Olsson, RA Universität Heidelberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81971&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1328 131342545 CHEMBL11348 445 ZINC09229229 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 157520 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00165806 10.7270/Q26H4FXN 2825043 Lohse, MJ; Klotz, KN; Lindenborn-Fotinos, J; Reddington, M; Schwabe, U; Olsson, RA Universität Heidelberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 157521 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A2a Homo sapiens 24 PDSP Ki 10.1007/bf00165806 10.7270/Q26H4FXN 2825043 Lohse, MJ; Klotz, KN; Lindenborn-Fotinos, J; Reddington, M; Schwabe, U; Olsson, RA Universität Heidelberg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158270 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19) GLDYYZLOHBXJBU-UHFFFAOYSA-N 82010 1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine::8-(4-Hydroxy-phenyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL27155 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10404236 131342584 CHEMBL27155 ZINC04770698 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158271 Cn1cnc2n(C)c(=O)[nH]c(=O)c12 InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) YAPQBXQYLJRXSA-UHFFFAOYSA-N 50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50014260 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50014260&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 37T 7VRO,7VRQ,6ICQ,2EFJ 5429 103926282 28946 CHEMBL1114 DB01412 C07480 ZINC00002151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158272 CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C15H14N4O4/c1-8(20)23-10-6-4-9(5-7-10)12-16-11-13(17-12)18(2)15(22)19(3)14(11)21/h4-7H,1-3H3,(H,16,17) TYEBBMLQZCIQPP-UHFFFAOYSA-N 82017 8-(4-Acetoxyphenyl)theophylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82017&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24011709 131342591 ZINC89454921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158273 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15) YGBHMJNRSBKDLF-UHFFFAOYSA-N 82012 8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-hydroxyphenyl)theophylline::CHEMBL27047 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82012&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5422370 131342586 CHEMBL27047 ZINC00529763 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158274 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) PJFMAVHETLRJHJ-UHFFFAOYSA-N 82015 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione::8-Phenyltheophylline::CAS_1922::CHEMBL62350::NSC_1922 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82015&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1922 131342589 CHEMBL62350 ZINC06530699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158275 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158276 Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 KSCFJBIXMNOVSH-UHFFFAOYSA-N 82016 CAS_479-18-5::DYPHYLLINE::Dihydroxypropyltheophylline::Diprophylline::Dylin::Dylix::Lufyllin::NSC_3182::Neothylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82016&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search X0T 2X0Y 3182 131342590 4728 DB00651 7070 C07819 ZINC00057147 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158277 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17) LVSWNSHUTPWCNF-UHFFFAOYSA-N 81971 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione::CAS_1328::CHEMBL11348::DPX::NSC_1328 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81971&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1328 131342545 CHEMBL11348 445 ZINC09229229 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158278 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158279 CCN(CC)CCn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C13H21N5O2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3/h9H,5-8H2,1-4H3 AWKLBIOQCIORSB-UHFFFAOYSA-N 82014 CAS_314-35-2::Etamiphylline::NSC_28329 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82014&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 28329 131342588 ZINC00001377 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158280 Cn1c2ncn(CCO)c2c(=O)n(C)c1=O InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 NWPRCRWQMGIBOT-UHFFFAOYSA-N 50025585 7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::BETA-HYDROXYETHYL THEOPHYLLINE::CHEMBL699::Etofylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50025585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50025585&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1892 103935457 CHEMBL699 ZINC00057358 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158281 O=c1[nH]cnc2nc[nH]c12 InChI=1S/C5H2N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H UYLWKSJTHLRFBX-UHFFFAOYSA-N 82018 CAS_790::CHEMBL1427::Hypoxanthine::NSC_790 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82018&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search HPA 2W55,2EES,2EET,2EEU,2EEV,2EEW,1ZAY,1PNR,4NYD,1BDI,1BDH,5MX4,1JFS,1JFT,6HGQ,1VPW,6II7,3ENZ,1VFN,4FEL,4FEN,4FEJ,4FE5,3OZF,3OZB,2PUD,2PUG,1A9Q,1A9T,3SCZ,3LBA,3PAN,4DAB,5MX6,3NRZ,2W3R,5C7W,5C7U,1QQA,1QQB,5IFK,1JH9,1QPZ,1QP7,1QP4,1QP0,3FNQ,1A9R,5TBU,5MX8,4UC0 790 131342592 17368 CHEMBL1427 4555 ZINC18153302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158282 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) APIXJSLKIYYUKG-UHFFFAOYSA-N 15336 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione::3-Isobutyl-1-methylxanthine::CHEMBL275084::IBMX::isobutylmethylxanthine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=15336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=15336&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1RKP,1SOJ,1ZKL,1ZKN,2HD1,2YY2 3758 46515641 34795 CHEMBL275084 388 C13708 ZINC03861807 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158283 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21) SENJBFBVCXOUFE-UHFFFAOYSA-N 82013 8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione(PACPX)::8-(2-Amino-4-chlorophenyl)-1,3-dipropylxanthine::CAS_92411::CHEMBL273671::NSC_92411::PACPX Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 92411 131342587 CHEMBL273671 ZINC02516024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158284 Cn1cnc2[nH]c(=O)n(C)c(=O)c12 InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N 50042210 1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::1,7-dimethylxanthine::CHEMBL1158::paraxanthine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50042210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4687 103973818 25858 CHEMBL1158 C13747 ZINC00120234 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158285 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 BYPFEZZEUUWMEJ-UHFFFAOYSA-N 10850 1-(5-Oxohexyl)theobromine (pentoxifylline)::3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione::CHEMBL628::Pentoxifylline::Pentoxil::Pentoxyphylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10850&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search PNX 3TVX,3ARR,3ARU,2A3C 4740 46511426 CHEMBL628 DB00806 7095 C07424 ZINC01530776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158286 CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3 MXRGZXBFSKSZPH-UHFFFAOYSA-N 82011 CAS_66120::NSC_66120::Protheobromine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82011&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66120 131342585 ZINC13209481 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158287 CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 KYHQZNGJUGFTGR-UHFFFAOYSA-N 50028190 7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::7-(2-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione(Proxyphylline)::CHEMBL37390::Proxyfylline::Proxyphylline Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50028190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50028190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4977 103937542 CHEMBL37390 ZINC00057348 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158288 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 158289 O=c1[nH]c2nc[nH]c2c(=O)[nH]1 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N 82009 CAS_1188::CHEMBL1424::NSC_1188::Xanthine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1007/bf00572436 10.7270/Q2RB7334 2997628 Schwabe, U; Ukena, D; Lohse, MJ TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82009&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1188 131342583 48517 CHEMBL1424 DB02134 4557 C00385 ZINC13517187 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 159694 CN1CCC[C@H]1c1cc(C)no1 InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1 ILLGYRJAYAAAEW-QMMMGPOBSA-N 50035398 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium::(S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole::3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole::ABT-418::CHEMBL274525 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2HH6HKJ 7518514 Arneric, SP; Sullivan, JP; Briggs, CA; Donnelly-Roberts, D; Anderson, DJ; Raszkiewicz, JL; Hughes, ML; Cadman, ED; Adams, P; Garvey, DS Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035398&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 119380 103943417 CHEMBL274525 ZINC03786099 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 172582 C(Oc1cccnc1)[C@@H]1CCN1 InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 XKFMBGWHHBCWCD-QMMMGPOBSA-N 50049750 (S)-3-(azetidin-2-ylmethoxy)pyridine::3-((S)-1-Azetidin-2-ylmethoxy)-pyridine::A-159470::A-85380::CHEMBL59986 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/0028-3908(96)84644-2 10.7270/Q237777N 8887981 Sullivan, JP; Donnelly-Roberts, D; Briggs, CA; Anderson, DJ; Gopalakrishnan, M; Piattoni-Kaplan, M; Campbell, JE; McKenna, DG; Molinari, E; Hettinger, AM; Garvey, DS; Wasicak, JT; Holladay, MW; Williams, M; Arneric, SP Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049750&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310969 103980061 CHEMBL59986 5460 ZINC03805142 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175720 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1 SUGVYNSRNKFXQM-ACSDJOOWSA-N 21280 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]-1H-pyrazole-3-carboxamide::N-(1,3,3-trimethylbicyclo(2.2.1)heptan-2-yl)-5-(4-chloro-3-methylphenyl)-1-(4-methylbenzyl)pyrazole-3-carboxamide::SR 144528::SR-144528::SR144528 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2D50KHT 9454810 Rinaldi-Carmona, M; Barth, F; Millan, J; Derocq, JM; Casellas, P; Congy, C; Oustric, D; Sarran, M; Bouaboula, M; Calandra, B; Portier, M; Shire, D; Breliere, JC; Le Fur, GL Sanofi Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21280&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21310426 49689352 ZINC03952700 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175818 OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20) XSMYYYQVWPZWIZ-UHFFFAOYSA-N 50008415 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CCPA Adenosine receptor A2a Homo sapiens 2270 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50008415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50008415&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1547 103921576 ZINC03870786 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175819 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 4.18 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175820 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 27.1 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175821 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A2a Homo sapiens 794 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175822 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 129 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175823 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12 InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1 LOGOEBMHHXYBID-MOROJQBDSA-N 50106543 5-[6-(4-Amino-3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL133566::IAB-MECA Adenosine receptor A2a Homo sapiens 471 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106543&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9958472 104002065 73285 CHEMBL133566 436 ZINC08660486 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175824 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23) HUJXGQILHAUCCV-UHFFFAOYSA-N 50034171 3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide::IB-MECA Adenosine receptor A2a Homo sapiens 2520 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034171&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 3668 103942386 ZINC03872877 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175825 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) RIRGCFBBHQEQQH-UHFFFAOYSA-N 50006730 (R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::(R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::(S)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol::2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL274022::ChEMBL_20163::D-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::R-N6-(2-phenylisopropyl) adenosine::R-PIA::S-PIA Adenosine receptor A2a Homo sapiens 859 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50006730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50006730&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5022 103920050 CHEMBL274022 ZINC03874846 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175826 CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) RIRGCFBBHQEQQH-UHFFFAOYSA-N 50006730 (R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::(R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::(S)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol::2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL274022::ChEMBL_20163::D-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::R-N6-(2-phenylisopropyl) adenosine::R-PIA::S-PIA Adenosine receptor A2a Homo sapiens 7780 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50006730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50006730&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5022 103920050 CHEMBL274022 ZINC03874846 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175827 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 1710 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 175828 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A2a Homo sapiens 1 PDSP Ki 10.1007/pl00005131 10.7270/Q20Z71T3 9459566 Klotz, KN; Hessling, J; Hegler, J; Owman, C; Kull, B; Fredholm, BB; Lohse, MJ Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 178462 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.4 PDSP Ki 10.1007/pl00005326 10.7270/Q24F1P91 9933143 Ongini, E; Dionisotti, S; Gessi, S; Irenius, E; Fredholm, BB Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 178463 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 0.6 PDSP Ki 10.1007/pl00005326 10.7270/Q24F1P91 9933143 Ongini, E; Dionisotti, S; Gessi, S; Irenius, E; Fredholm, BB Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 178464 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.8 PDSP Ki 10.1007/pl00005326 10.7270/Q24F1P91 9933143 Ongini, E; Dionisotti, S; Gessi, S; Irenius, E; Fredholm, BB Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 180579 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 PDSP Ki 10.7270/Q2CJ8C1K 10779381 Varani, K; Merighi, S; Gessi, S; Klotz, KN; Leung, E; Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179380 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1 InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13?,14+,18-/m1/s1 FDEACFAXFCKCHZ-FEWYLQRLSA-N 50004461 (2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::1, HENECA::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::HE-NECA::HENECA Adenosine receptor A2a Homo sapiens 6.4 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44329583 103918092 ZINC26725766 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179381 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23) YGJTXZLLALEEMC-UHFFFAOYSA-N 50034540 2-substituted NECA derivatives, 10::5-(6-Amino-2-furan-2-ylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(furan-2-yl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A2a Homo sapiens 510 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034540&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44282861 103942732 ZINC36272487 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179382 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23) GEERMPLJABIPET-UHFFFAOYSA-N 50034533 2-substituted NECA derivatives, 11::5-(6-Amino-2-thiazol-2-ylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(1,3-thiazol-2-yl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A2a Homo sapiens 84 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034533&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44282843 103942725 ZINC36272459 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179383 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC1=CCCCC1 InChI=1S/C20H24N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h6,10,14-16,20,27-28H,2-5,7H2,1H3,(H,22,29)(H2,21,24,25) DJOLZUMDTLSSJV-UHFFFAOYSA-N 50041894 2-substituted NECA derivatives, 12::5-(6-Amino-2-cyclohex-1-enylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A2a Homo sapiens 100 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041894&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44292964 103973573 ZINC36272732 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179384 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(cc1)C(N)=O InChI=1S/C21H21N7O5/c1-2-24-20(32)16-14(29)15(30)21(33-16)28-9-25-13-17(22)26-12(27-19(13)28)8-5-10-3-6-11(7-4-10)18(23)31/h3-4,6-7,9,14-16,21,29-30H,2H2,1H3,(H2,23,31)(H,24,32)(H2,22,26,27) SODZZEVQQQTQCC-UHFFFAOYSA-N 50034536 2-substituted NECA derivatives, 13::5-[6-Amino-2-(4-carbamoyl-phenylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-{6-amino-2-[2-(4-carbamoylphenyl)ethynyl]-9H-purin-9-yl}-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A2a Homo sapiens 470 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034536&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44283027 103942728 ZINC36272457 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179385 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28) GARQAYNTACVSPU-UHFFFAOYSA-N 50034516 2-substituted NECA derivatives, 14::3-{4-[6-Amino-9-(5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylethynyl]-phenyl}-propionic acid Adenosine receptor A2a Homo sapiens 2200 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034516&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44282899 103942708 ZINC38149074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179386 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCC#N InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24) DYUTVMYUMCFDOY-UHFFFAOYSA-N 50041901 2-substituted NECA derivatives, 2::5-[6-Amino-2-(5-cyano-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A2a Homo sapiens 25 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041901&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44292969 103973580 ZINC36272747 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179387 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28) HJEMREITHZKJMZ-UHFFFAOYSA-N 50034513 2-substituted NECA derivatives, 3::5-[6-Amino-2-(5-phenyl-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(5-phenylpent-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Adenosine receptor A2a Homo sapiens 110 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034513&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44282851 103942705 ZINC36272456 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179388 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCC(C)O InChI=1S/C17H22N6O5/c1-3-19-16(27)13-11(25)12(26)17(28-13)23-7-20-10-14(18)21-9(22-15(10)23)6-4-5-8(2)24/h7-8,11-13,17,24-26H,3,5H2,1-2H3,(H,19,27)(H2,18,21,22) MYRWWGHDNMTNMA-UHFFFAOYSA-N 50041895 2-substituted NECA derivatives, 4::5-[6-Amino-2-(4-hydroxy-pent-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A2a Homo sapiens 14 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041895&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44293364 103973574 ZINC36272933 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179389 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) GPCASTDOVZHXHU-UHFFFAOYSA-N 50041906 2-substituted NECA derivatives, 5::5-[6-Amino-2-(3-hydroxy-but-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A2a Homo sapiens 14 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041906&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44292742 103973585 ZINC36272908 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179390 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) WOAZCBPWCCREDO-UHFFFAOYSA-N 50041905 5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(3-hydroxy-3-phenylprop-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::6, PHPNECA::R,S-PHPNECA Adenosine receptor A2a Homo sapiens 3.1 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041905&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44213772 103973584 ZINC36272881 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179391 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 WOAZCBPWCCREDO-UQDAOCEXSA-N 50208801 (2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenylprop-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::6R, (R)-PHPNECA::CHEMBL224874 Adenosine receptor A2a Homo sapiens 39 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50208801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50208801&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23757284 104085760 CHEMBL224874 ZINC12405624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179392 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 WOAZCBPWCCREDO-SWDFYPTCSA-N 85523 6S, (S)-PHPNECA Adenosine receptor A2a Homo sapiens 2 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85523&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57340155 136351623 ZINC36272881 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179393 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)(O)c1ccccc1 InChI=1S/C22H24N6O5/c1-3-24-20(31)17-15(29)16(30)21(33-17)28-11-25-14-18(23)26-13(27-19(14)28)9-10-22(2,32)12-7-5-4-6-8-12/h4-8,11,15-17,21,29-30,32H,3H2,1-2H3,(H,24,31)(H2,23,26,27) YUGNPNQJJOBKPP-UHFFFAOYSA-N 50041912 2-substituted NECA derivatives, 7::5-[6-Amino-2-(3-hydroxy-3-phenyl-but-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide Adenosine receptor A2a Homo sapiens 56 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041912&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44292847 103973591 ZINC36272889 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179394 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CCOc1ccccc1 InChI=1S/C21H22N6O5/c1-2-23-20(30)17-15(28)16(29)21(32-17)27-11-24-14-18(22)25-13(26-19(14)27)9-6-10-31-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,10H2,1H3,(H,23,30)(H2,22,25,26) DVQXUGVOZYMGAZ-UHFFFAOYSA-N 85524 2-substituted NECA derivatives, 8 Adenosine receptor A2a Homo sapiens 180 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85524&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57340156 136351624 ZINC89456429 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179395 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25) SWXXHYTUMIMRFO-UHFFFAOYSA-N 50034531 5-(6-Amino-2-phenylethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::9, PENECA Adenosine receptor A2a Homo sapiens 620 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034531&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44282897 103942723 ZINC36272516 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179396 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 20 PDSP Ki 10.1007/s002109900044 10.7270/Q2R20ZXT 10494877 Klotz, KN; Camaioni, E; Volpini, R; Kachler, S; Vittori, S; Cristalli, G Universität Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179418 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13) MJVIGUCNSRXAFO-UHFFFAOYSA-N 82032 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione::1,3-Dipropylxanthine::CAS_169317::CHEMBL157655::CPX::NSC_169317 Adenosine receptor A2a Homo sapiens 156 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 169317 131342606 CHEMBL157655 427 ZINC04654890 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179419 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179420 CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31) DKJMGIXWGPEEFF-UHFFFAOYSA-N 82558 CAS_163889::CHEMBL355370::I-ABOPX::NSC_163889 Adenosine receptor A2a Homo sapiens 95 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82558&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 163889 136350528 CHEMBL355370 452 ZINC12405708 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179421 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 4200 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 179422 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 1.4 PDSP Ki 10.7270/Q2M9077B 10496952 Linden, J; Thai, T; Figler, H; Jin, X; Robeva, AS University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 182743 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 XMXHEBAFVSFQEX-UHFFFAOYSA-N 50034043 1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxy-phenyl)-ethanone::CHEMBL14376::ILOPERIDONE Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/S0893-133X(01)00285-8 10.7270/Q21V5CHQ 11750183 Kalkman, HO; Subramanian, N; Hoyer, D Novartis Pharma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50034043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50034043&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71360 103942259 65173 CHEMBL14376 DB04946 87 ZINC01548097 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 182805 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 156 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 182806 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 182807 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 0.6 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 182808 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 1.4 PDSP Ki 10.1124/mol.61.2.415 10.7270/Q28C9TT0 11809867 Gessi, S; Varani, K; Merighi, S; Cattabriga, E; Iannotta, V; Leung, E; Baraldi, PG; Borea, PA University of Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 187976 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) HMXDWDSNPRNUKI-UHFFFAOYSA-N 50171290 5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide::CHEMBL189676::SR 147778 Adenosine receptor A2a Homo sapiens 1000 PDSP Ki 10.1124/jpet.104.067884 10.7270/Q2RR1WTX 15131245 Rinaldi-Carmona, M; Barth, F; Congy, C; Martinez, S; Oustric, D; Pério, A; Poncelet, M; Maruani, J; Arnone, M; Finance, O; Soubrié, P; Le Fur, G Sanofi-Synthelabo Recherche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171290&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9849616 104057543 CHEMBL189676 ZINC01549068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189647 CN1C2C(N(C)C(=O)N(C)C2=O)c2ccncc12 InChI=1S/C12H14N4O2/c1-14-8-6-13-5-4-7(8)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 REAWCTOZHAQDRA-UHFFFAOYSA-N 86763 2,4,9-trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione::CAS_44457461::NSC_44457461 Adenosine receptor A2a Homo sapiens 4190 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457461 136352812 ZINC29135684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189648 CN1C2C(Nc3cnccc23)C(=O)N(C)C1=O InChI=1S/C11H12N4O2/c1-14-9-6-3-4-12-5-7(6)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 FLMROXMSJMMNTH-UHFFFAOYSA-N 86758 2,4-dimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione::CAS_44457469::NSC_44457469 Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86758&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457469 136352807 ZINC29135746 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189649 CN1C2C(Nc3cccnc23)C(=O)N(C)C1=O InChI=1S/C11H12N4O2/c1-14-9-7-6(4-3-5-12-7)13-8(9)10(16)15(2)11(14)17/h3-5,8-9,13H,1-2H3 FISGPZSJKWVZJC-UHFFFAOYSA-N 86759 2,4-dimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione::CAS_44457473::NSC_44457473 Adenosine receptor A2a Homo sapiens 893 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86759&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457473 136352808 ZINC29135803 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189650 CN1C2C(N(C)C(=O)N(C)C2=O)c2ncccc12 InChI=1S/C12H14N4O2/c1-14-7-5-4-6-13-8(7)9-10(14)11(17)16(3)12(18)15(9)2/h4-6,9-10H,1-3H3 LFUCBZCFKRZWDB-UHFFFAOYSA-N 86762 2,5,9-trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione::CAS_44457466::NSC_44457466 Adenosine receptor A2a Homo sapiens 6940 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457466 136352811 ZINC29135732 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189651 Oc1c(Br)cc2[nH]c3cnccc3c2c1Br InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H UNIUKKWPGRGSRQ-UHFFFAOYSA-N 50207817 5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol::7-bromo-eudistomin D::CHEMBL272185 Adenosine receptor A2a Homo sapiens 4920 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127993 104085141 CHEMBL272185 ZINC05163004 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189652 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A2a Homo sapiens >10000 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 189653 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29) PAOANWZGLPPROA-UHFFFAOYSA-N 86760 CAS_104924::CGS 21680::NSC_104924::US11440916, CGS 21680 Adenosine receptor A2a Homo sapiens 46.20 PDSP Ki 10.1016/j.bmc.2007.02.043 10.7270/Q28G8J9M 17350268 Ohshita, K; Ishiyama, H; Oyanagi, K; Nakata, H; Kobayashi, J Hokkaido University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86760&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 2691 136352809 ZINC03872017 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224835 Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 InChI=1S/C17H13FN6/c18-13-9-5-4-8-12(13)10-24-17-14(22-23-24)15(19)20-16(21-17)11-6-2-1-3-7-11/h1-9H,10H2,(H2,19,20,21) NXRBUSNWTZFORH-UHFFFAOYSA-N 106370 9-(ortho-fluorobenzyl)-2-phenyl-azaadenine (1bis) Adenosine receptor A2a Homo sapiens 94 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106370&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723436 174008681 ZINC96177290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224836 Fc1ccccc1Cn1nnc2c(NC(=O)C3CC3)nc(nc12)-c1ccccc1 InChI=1S/C21H17FN6O/c22-16-9-5-4-8-15(16)12-28-20-17(26-27-28)19(25-21(29)14-10-11-14)23-18(24-20)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,23,24,25,29) DPURLSYXRHWHCQ-UHFFFAOYSA-N 106371 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (2) Adenosine receptor A2a Homo sapiens 9.2 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723437 174008682 ZINC96177291 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224837 Fc1ccccc1Cn1nnc2c(NC(=O)C3CCC3)nc(nc12)-c1ccccc1 InChI=1S/C22H19FN6O/c23-17-12-5-4-9-16(17)13-29-21-18(27-28-29)20(26-22(30)15-10-6-11-15)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,15H,6,10-11,13H2,(H,24,25,26,30) LWLKNQAHAAQNLO-UHFFFAOYSA-N 106372 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (3) Adenosine receptor A2a Homo sapiens 0.71 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106372&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723438 174008683 ZINC96177292 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224838 Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCC3)nc(nc12)-c1ccccc1 InChI=1S/C23H21FN6O/c24-18-13-7-6-12-17(18)14-30-22-19(28-29-30)21(27-23(31)16-10-4-5-11-16)25-20(26-22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,25,26,27,31) ZPZBOPWHTRROBI-UHFFFAOYSA-N 106373 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (4) Adenosine receptor A2a Homo sapiens 1.4 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106373&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723439 174008684 ZINC96177293 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224839 Fc1ccccc1Cn1nnc2c(NC(=O)C3CCCCC3)nc(nc12)-c1ccccc1 InChI=1S/C24H23FN6O/c25-19-14-8-7-13-18(19)15-31-23-20(29-30-31)22(28-24(32)17-11-5-2-6-12-17)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,26,27,28,32) YAHWVOBXPRTPPC-UHFFFAOYSA-N 106374 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (5) Adenosine receptor A2a Homo sapiens 2.1 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106374&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723577 174008685 ZINC96177294 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224840 Fc1ccccc1Cn1nnc2c(NC(=O)c3ccco3)nc(nc12)-c1ccccc1 InChI=1S/C22H15FN6O2/c23-16-10-5-4-9-15(16)13-29-21-18(27-28-29)20(26-22(30)17-11-6-12-31-17)24-19(25-21)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25,26,30) QIBAMLNBYLUZGF-UHFFFAOYSA-N 106375 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (6) Adenosine receptor A2a Homo sapiens 5.5 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106375&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723578 174008686 ZINC96177295 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224841 Fc1ccccc1Cn1nnc2c(NC(=O)c3ccoc3)nc(nc12)-c1ccccc1 InChI=1S/C22H15FN6O2/c23-17-9-5-4-8-15(17)12-29-21-18(27-28-29)20(26-22(30)16-10-11-31-13-16)24-19(25-21)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,25,26,30) UVKGHWQWPDGTAX-UHFFFAOYSA-N 106376 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (7) Adenosine receptor A2a Homo sapiens 2.3 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106376&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723579 174008687 ZINC96177296 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224842 Fc1ccccc1Cn1nnc2c(NC(=O)c3cccc(Cl)c3)nc(nc12)-c1ccccc1 InChI=1S/C24H16ClFN6O/c25-18-11-6-10-16(13-18)24(33)29-22-20-23(28-21(27-22)15-7-2-1-3-8-15)32(31-30-20)14-17-9-4-5-12-19(17)26/h1-13H,14H2,(H,27,28,29,33) BJYUJGUEQJNAPL-UHFFFAOYSA-N 106377 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (8) Adenosine receptor A2a Homo sapiens 43 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106377&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723580 174008688 ZINC96177297 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224843 Fc1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 InChI=1S/C24H16F2N6O/c25-18-11-6-10-16(13-18)24(33)29-22-20-23(28-21(27-22)15-7-2-1-3-8-15)32(31-30-20)14-17-9-4-5-12-19(17)26/h1-13H,14H2,(H,27,28,29,33) QIFCCJOIOQJXMS-UHFFFAOYSA-N 106378 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (9) Adenosine receptor A2a Homo sapiens 5.5 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106378&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723581 174008689 ZINC96177298 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224844 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 InChI=1S/C24H16FN7O3/c25-19-12-5-4-9-17(19)14-31-23-20(29-30-31)22(26-21(27-23)15-7-2-1-3-8-15)28-24(33)16-10-6-11-18(13-16)32(34)35/h1-13H,14H2,(H,26,27,28,33) QCAXQYNYBXEQHI-UHFFFAOYSA-N 106380 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (11) Adenosine receptor A2a Homo sapiens 28 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106380&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723716 174008691 ZINC96177300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224845 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 InChI=1S/C24H16FN7O3/c25-19-9-5-4-8-17(19)14-31-23-20(29-30-31)22(26-21(27-23)15-6-2-1-3-7-15)28-24(33)16-10-12-18(13-11-16)32(34)35/h1-13H,14H2,(H,26,27,28,33) WEAIIEYARJCNTR-UHFFFAOYSA-N 106381 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (12) Adenosine receptor A2a Homo sapiens 14 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723717 174008692 ZINC96177301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224846 Fc1ccccc1Cn1nnc2c(NC(=O)c3ccc(I)cc3)nc(nc12)-c1ccccc1 InChI=1S/C24H16FIN6O/c25-19-9-5-4-8-17(19)14-32-23-20(30-31-32)22(27-21(28-23)15-6-2-1-3-7-15)29-24(33)16-10-12-18(26)13-11-16/h1-13H,14H2,(H,27,28,29,33) VJMCQWDYPRJURY-UHFFFAOYSA-N 106382 N-[9-(ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (13) Adenosine receptor A2a Homo sapiens 92 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106382&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723718 174008693 ZINC96177302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 224847 Nc1ccc(cc1)C(=O)Nc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 InChI=1S/C24H18FN7O/c25-19-9-5-4-8-17(19)14-32-23-20(30-31-32)22(27-21(28-23)15-6-2-1-3-7-15)29-24(33)16-10-12-18(26)13-11-16/h1-13H,14,26H2,(H,27,28,29,33) AOOBGFNNMUSTOH-UHFFFAOYSA-N 106384 N-[9-ortho-fluorobenzyl)-2-phenyl-9H-8-azapurin-6-yl]-amides (15) Adenosine receptor A2a Homo sapiens 18 7.4 Curated from the literature by BindingDB 10.1111/cbdd.12131 10.7270/Q2445K4Z 23480235 aid1800142 Borghini, A; Pietra, D; Leonardi, M; Giorgi, I; Bianucci, AM Universit£ di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=106384&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71723720 174008695 ZINC96177304 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259202 Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16) ATFXVNUWQOXRRU-UHFFFAOYSA-N 128295 US8796284, 1 Adenosine receptor A2a Homo sapiens 12 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128295&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53466958 225154637 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259203 Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1 InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16) RZNYFNPNRHLKTG-UHFFFAOYSA-N 128296 US8796284, 3 Adenosine receptor A2a Homo sapiens 11 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128296&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53466961 225154638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259204 Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1 InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18) CQMIUDXRCZBOOY-UHFFFAOYSA-N 128297 US8796284, 4 Adenosine receptor A2a Homo sapiens 6 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128297&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53466962 225154639 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259205 Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1 InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17) JJVSQYWMMZXTGT-UHFFFAOYSA-N 128298 US8796284, 5 Adenosine receptor A2a Homo sapiens 14 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128298&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467179 225154640 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259206 Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16) DNWLPKMXZITGRO-UHFFFAOYSA-N 128299 US8796284, 8 Adenosine receptor A2a Homo sapiens 18 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467182 225154641 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259207 Nc1nc(nc(N2CCC2)c1Br)-n1cccn1 InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15) BBAXFDLDZBPZRN-UHFFFAOYSA-N 128300 US8796284, 9 Adenosine receptor A2a Homo sapiens 33 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128300&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467183 225154642 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259208 Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1 InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17) VUEAJDKKLYSRME-UHFFFAOYSA-N 128301 US8796284, 10 Adenosine receptor A2a Homo sapiens 21 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467184 225154643 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259209 CN(C)c1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14) XFEJMGUHELBLFD-UHFFFAOYSA-N 128302 US8796284, 13 Adenosine receptor A2a Homo sapiens 35 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128302&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467187 225154644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259210 COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1 OYRRDHILGFQVLW-SECBINFHSA-N 128303 US8796284, 20 Adenosine receptor A2a Homo sapiens 14 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128303&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467399 225154645 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259211 CNc1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14) HCOMUGNFBLXSBR-UHFFFAOYSA-N 128304 US8796284, 24 Adenosine receptor A2a Homo sapiens 16 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128304&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467620 225154646 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259212 Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1 InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17) NVURDYXPWZOTGE-UHFFFAOYSA-N 128305 US8796284, 29 Adenosine receptor A2a Homo sapiens 10 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128305&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467625 225154647 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259213 CCSc1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14) VXYGLBSNBUIORN-UHFFFAOYSA-N 128306 US8796284, 36 Adenosine receptor A2a Homo sapiens 8 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128306&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57407040 225154648 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259214 CC(C)Sc1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15) SFZCZMOHXMUHDZ-UHFFFAOYSA-N 128307 US8796284, 38 Adenosine receptor A2a Homo sapiens 7 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128307&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57407042 225154649 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259215 Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1 InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17) FWJUNYDCSATLOX-UHFFFAOYSA-N 128308 US8796284, 44 Adenosine receptor A2a Homo sapiens 14 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128308&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57407239 225154650 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259216 Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1 InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16) NSIBZHWOMMEPMS-UHFFFAOYSA-N 128309 US8796284, 46 Adenosine receptor A2a Homo sapiens 17 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467826 225154651 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259217 Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1 InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17) IRLWKWMOWQSPSY-UHFFFAOYSA-N 128310 US8796284, 48 Adenosine receptor A2a Homo sapiens 7 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128310&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467828 225154652 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259218 Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16) HPPADDHIDIGPDJ-UHFFFAOYSA-N 128311 US8796284, 93 Adenosine receptor A2a Homo sapiens 1 25.00 C US Patent 10.7270/Q2WM1C2Q aid1800594 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128311&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53386422 225154653 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259219 Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16) ATFXVNUWQOXRRU-UHFFFAOYSA-N 128295 US8796284, 1 Adenosine receptor A2a Homo sapiens 25 37.00 C US Patent 10.7270/Q2WM1C2Q aid1800595 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128295&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53466958 225154637 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259220 Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16) DNWLPKMXZITGRO-UHFFFAOYSA-N 128299 US8796284, 8 Adenosine receptor A2a Homo sapiens 60 37.00 C US Patent 10.7270/Q2WM1C2Q aid1800595 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467182 225154641 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259221 CN(C)c1nc(nc(N)c1Br)-n1cccn1 InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14) XFEJMGUHELBLFD-UHFFFAOYSA-N 128302 US8796284, 13 Adenosine receptor A2a Homo sapiens 50 37.00 C US Patent 10.7270/Q2WM1C2Q aid1800595 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128302&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53467187 225154644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 259222 Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16) HPPADDHIDIGPDJ-UHFFFAOYSA-N 128311 US8796284, 93 Adenosine receptor A2a Homo sapiens 12 37.00 C US Patent 10.7270/Q2WM1C2Q aid1800595 US8796284 Camacho Gomez, JA; Castro-Palomino Laria, JC Palobiofarma, S.L. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=128311&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53386422 225154653 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293136 C=CC(=O)Nc1cc2ccccc2oc1=O InChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14) OLVMBBCCJJVATF-UHFFFAOYSA-N 152526 N-(Coumarin-3-yl)acrylamide (2) Adenosine receptor A2a Homo sapiens 1.22e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152526&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91937746 252826777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293137 Oc1c(NC(=O)C=C)c(=O)oc2ccccc12 InChI=1S/C12H9NO4/c1-2-9(14)13-10-11(15)7-5-3-4-6-8(7)17-12(10)16/h2-6,15H,1H2,(H,13,14) BDBIVFHRDBXBPL-UHFFFAOYSA-N 152527 N-(4-Hydroxycoumarin-3-yl)acrylamide (3) Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152527&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91937747 252826778 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293138 O=C(Nc1cc2ccccc2oc1=O)c1ccccc1 InChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)17-13-10-12-8-4-5-9-14(12)20-16(13)19/h1-10H,(H,17,18) RXHSXTPNFVSJKM-UHFFFAOYSA-N 95955 MLS000693557::N-(2-ketochromen-3-yl)benzamide::N-(2-oxidanylidenechromen-3-yl)benzamide::N-(2-oxo-1-benzopyran-3-yl)benzamide::N-(2-oxochromen-3-yl)benzamide::SMR000285500::cid_252608 Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=95955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=95955&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 252608 164037199 ZINC02565411 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293139 Oc1c(NC(=O)c2ccccc2)c(=O)oc2ccccc12 InChI=1S/C16H11NO4/c18-14-11-8-4-5-9-12(11)21-16(20)13(14)17-15(19)10-6-2-1-3-7-10/h1-9,18H,(H,17,19) HURCDLKXVVGVLA-UHFFFAOYSA-N 152528 N-(4-hydroxycoumarin-3-yl)benzamide (5) Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152528&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91937748 252826779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293140 O=C(Nc1cc2ccccc2oc1=O)c1cccnc1 InChI=1S/C15H10N2O3/c18-14(11-5-3-7-16-9-11)17-12-8-10-4-1-2-6-13(10)20-15(12)19/h1-9H,(H,17,18) BSPNWHVLUDHSIF-UHFFFAOYSA-N 152529 N-(coumarin-3-yl)nicotinamide (6) Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152529&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91937749 252826780 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293141 O=C(Nc1cc2ccccc2oc1=O)c1cccs1 InChI=1S/C14H9NO3S/c16-13(12-6-3-7-19-12)15-10-8-9-4-1-2-5-11(9)18-14(10)17/h1-8H,(H,15,16) FTTNTECCHYPEOG-UHFFFAOYSA-N 152530 N-(coumarin-3-yl)thiophene-2-carboxamide (7) Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152530&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4526012 252826781 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 293142 O=C(Nc1cc2ccccc2oc1=O)c1ccco1 InChI=1S/C14H9NO4/c16-13(12-6-3-7-18-12)15-10-8-9-4-1-2-5-11(9)19-14(10)17/h1-8H,(H,15,16) XUWWXDIKQJEACU-UHFFFAOYSA-N 152531 N-(Coumarin-3-yl)furan-2-carboxamide (8) Adenosine receptor A2a Homo sapiens >1.00e+5 Curated from the literature by BindingDB 10.1016/j.bioorg.2015.05.008 10.7270/Q21J98HW 26042529 aid1801051 Matos, MJ; Vilar, S; Kachler, S; Celeiro, M; Vazquez-Rodriguez, S; Santana, L; Uriarte, E; Hripcsak, G; Borges, F; Klotz, KN Universidade do Porto http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=152531&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91937750 252826782 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298834 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 QMJFSSNSVVHFPD-PMPKIWSKSA-N 156364 US9018371, 4 Adenosine receptor A2a Homo sapiens 341 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156364&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356330 254802085 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298835 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O2S/c17-9-4-2-1-3-8(9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 XUIYCLQDMOOVSQ-PMPKIWSKSA-N 156365 US9018371, 5 Adenosine receptor A2a Homo sapiens 1600 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156365&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356332 254802086 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298836 COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SCC(O)[C@@H]1O InChI=1S/C17H17Cl2N5O3S/c1-27-11-3-2-9(18)4-8(11)5-20-14-12-15(23-17(19)22-14)24(7-21-12)16-13(26)10(25)6-28-16/h2-4,7,10,13,16,25-26H,5-6H2,1H3,(H,20,22,23)/t10?,13-,16+/m0/s1 LJLMHEFJMXWPHX-ALWGXXCGSA-N 156366 US9018371, 6 Adenosine receptor A2a Homo sapiens 4020 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156366&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356306 254802087 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298837 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YDNYUMZDXCVVRT-GRLMSTMOSA-N 156370 US9018371, 11 Adenosine receptor A2a Homo sapiens 1260 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156370&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356320 254802091 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298838 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 CKXSTCOOOXXOLA-GRLMSTMOSA-N 156371 US9018371, 12 Adenosine receptor A2a Homo sapiens 440 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356309 254802092 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298839 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YPCLFHBYRDLMJY-GRLMSTMOSA-N 156372 US9018371, 13 Adenosine receptor A2a Homo sapiens 420 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156372&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356323 254802093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298840 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 IDVXTFYPPUNLDO-GRLMSTMOSA-N 156373 US9018371, 14 Adenosine receptor A2a Homo sapiens 230 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156373&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356305 254802094 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298841 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 InChI=1S/C16H15ClFN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 YIHCHMWFJKTKDU-PMPKIWSKSA-N 156361 US9018371, 1 Adenosine receptor A2a Homo sapiens 7.4 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156361&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356321 254802082 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298842 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 JQUBXCDDRXAMLF-PMPKIWSKSA-N 156362 US9018371, 2 Adenosine receptor A2a Homo sapiens 1.66 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156362&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356333 254802083 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298843 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C16H15BrClN5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 HMQUFUXKXUSFFV-PMPKIWSKSA-N 156363 US9018371, 3 Adenosine receptor A2a Homo sapiens 8.99 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156363&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356314 254802084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298844 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 QMJFSSNSVVHFPD-PMPKIWSKSA-N 156364 US9018371, 4 Adenosine receptor A2a Homo sapiens 4.16 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156364&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356330 254802085 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298845 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O2S/c17-9-4-2-1-3-8(9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 XUIYCLQDMOOVSQ-PMPKIWSKSA-N 156365 US9018371, 5 Adenosine receptor A2a Homo sapiens 25.8 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156365&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356332 254802086 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298846 COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SCC(O)[C@@H]1O InChI=1S/C17H17Cl2N5O3S/c1-27-11-3-2-9(18)4-8(11)5-20-14-12-15(23-17(19)22-14)24(7-21-12)16-13(26)10(25)6-28-16/h2-4,7,10,13,16,25-26H,5-6H2,1H3,(H,20,22,23)/t10?,13-,16+/m0/s1 LJLMHEFJMXWPHX-ALWGXXCGSA-N 156366 US9018371, 6 Adenosine receptor A2a Homo sapiens 12.7 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156366&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356306 254802087 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298847 COc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SCC(O)[C@@H]1O InChI=1S/C17H18ClN5O3S/c1-26-11-5-3-2-4-9(11)6-19-14-12-15(22-17(18)21-14)23(8-20-12)16-13(25)10(24)7-27-16/h2-5,8,10,13,16,24-25H,6-7H2,1H3,(H,19,21,22)/t10?,13-,16+/m0/s1 IXGMDIBYUXOUSR-ALWGXXCGSA-N 156367 US9018371, 7 Adenosine receptor A2a Homo sapiens 19.9 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156367&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356312 254802088 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298848 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 InChI=1S/C20H18ClN5O2S/c21-20-24-17(22-8-12-6-3-5-11-4-1-2-7-13(11)12)15-18(25-20)26(10-23-15)19-16(28)14(27)9-29-19/h1-7,10,14,16,19,27-28H,8-9H2,(H,22,24,25)/t14?,16-,19+/m0/s1 SBJORAVUWWLBAK-WHJCRDCLSA-N 156368 US9018371, 8 Adenosine receptor A2a Homo sapiens 24.8 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156368&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356317 254802089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298849 CNc1nc(Cl)nc2n(cnc12)[C@@H]1SCC(O)[C@@H]1O InChI=1S/C10H12ClN5O2S/c1-12-7-5-8(15-10(11)14-7)16(3-13-5)9-6(18)4(17)2-19-9/h3-4,6,9,17-18H,2H2,1H3,(H,12,14,15)/t4?,6-,9+/m0/s1 ANLGHWMSNKUOET-DHSJVARPSA-N 156369 US9018371, 10 Adenosine receptor A2a Homo sapiens 3.69 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156369&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356322 254802090 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298850 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YDNYUMZDXCVVRT-GRLMSTMOSA-N 156370 US9018371, 11 Adenosine receptor A2a Homo sapiens 7.3 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156370&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356320 254802091 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298851 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 CKXSTCOOOXXOLA-GRLMSTMOSA-N 156371 US9018371, 12 Adenosine receptor A2a Homo sapiens 1.5 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356309 254802092 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298852 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 YPCLFHBYRDLMJY-GRLMSTMOSA-N 156372 US9018371, 13 Adenosine receptor A2a Homo sapiens 6.8 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156372&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356323 254802093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298853 OC1CS[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11?,13-,16+/m0/s1 IDVXTFYPPUNLDO-GRLMSTMOSA-N 156373 US9018371, 14 Adenosine receptor A2a Homo sapiens 2.5 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156373&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356305 254802094 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298854 OC1CO[C@H]([C@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C16H15BrClN5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 BMUNWGDQGOJGOE-PMPKIWSKSA-N 156374 US9018371, 15 Adenosine receptor A2a Homo sapiens 13 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156374&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356313 254802095 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 298855 OC1CO[C@H]([C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O3/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10?,12-,15+/m0/s1 IYAFDRKTMVINNA-PMPKIWSKSA-N 156375 US9018371, 16 Adenosine receptor A2a Homo sapiens 42.9 US Patent 10.7270/Q2G44P1K aid1801204 US9018371 Jeong, LS; Kim, HO; Jacobson, KA; Choe, SA FM Therapeutics Co., Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=156375&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 59356324 254802096 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300954 CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(cn12)[N+]#[C-] InChI=1S/C24H24N4O2/c1-3-27(20-7-5-4-6-8-20)24(30)18-11-9-17(10-12-18)23(29)21-15-26-22-14-13-19(25-2)16-28(21)22/h9-16,20H,3-8H2,1H3 LCPHQBYSMJYKTG-UHFFFAOYSA-N 158409 US9029393, 7 Adenosine receptor A2a Homo sapiens 171 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158409&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522717 254816880 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300955 CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Br)cn12 InChI=1S/C23H24BrN3O2/c1-2-26(19-6-4-3-5-7-19)23(29)17-10-8-16(9-11-17)22(28)20-14-25-21-13-12-18(24)15-27(20)21/h8-15,19H,2-7H2,1H3 PICURCPPZHMBQS-UHFFFAOYSA-N 158410 US9029393, 10 Adenosine receptor A2a Homo sapiens 108 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158410&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846867 254816881 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300956 Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1 InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2 YBPAWHNMCWLDIZ-UHFFFAOYSA-N 50011297 CHEMBL3260729::US9029393, 14 Adenosine receptor A2a Homo sapiens 12 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011297&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846868 242057803 CHEMBL3260729 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300957 CCN(C1CCCCC1)C(=O)c1ccc(nc1)C(=O)c1cnc2ccccn12 InChI=1S/C22H24N4O2/c1-2-25(17-8-4-3-5-9-17)22(28)16-11-12-18(23-14-16)21(27)19-15-24-20-10-6-7-13-26(19)20/h6-7,10-15,17H,2-5,8-9H2,1H3 ILFJGLLPZRFLET-UHFFFAOYSA-N 158411 US9029393, 23 Adenosine receptor A2a Homo sapiens 264 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158411&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846869 254816882 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300958 CCN(C1CCCCC1)C(=O)c1ccc(cc1Cl)C(=O)c1cnc2ccc(F)cn12 InChI=1S/C23H23ClFN3O2/c1-2-27(17-6-4-3-5-7-17)23(30)18-10-8-15(12-19(18)24)22(29)20-13-26-21-11-9-16(25)14-28(20)21/h8-14,17H,2-7H2,1H3 RZGFKTRVOUYQQN-UHFFFAOYSA-N 158412 US9029393, 24 Adenosine receptor A2a Homo sapiens 34 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158412&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522740 254816883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300959 Nc1cc(ccc1C(=O)c1cnc2ccc(F)cn12)C(=O)N1CCCCCC1 InChI=1S/C21H21FN4O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10,23H2 GVQJFUYQVZPPBR-UHFFFAOYSA-N 158413 US9029393, 30 Adenosine receptor A2a Homo sapiens 103 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158413&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846870 254816884 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300960 O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(cc1)C(=O)c1cnc2ccccn12 InChI=1S/C27H31N3O2/c31-26(24-19-28-25-13-7-8-18-29(24)25)20-14-16-21(17-15-20)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-19,22-23H,1-6,9-12H2 DACZXRLASUCKDD-UHFFFAOYSA-N 158414 US9029393, 48 Adenosine receptor A2a Homo sapiens 138 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158414&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522814 254816885 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300961 CCN(C(=O)c1ccc(cc1)C(=O)c1cnc2ccccn12)c1ccccc1 InChI=1S/C23H19N3O2/c1-2-25(19-8-4-3-5-9-19)23(28)18-13-11-17(12-14-18)22(27)20-16-24-21-10-6-7-15-26(20)21/h3-16H,2H2,1H3 MOOIKZDVFDZDQX-UHFFFAOYSA-N 158415 US9029393, 56 Adenosine receptor A2a Homo sapiens 188 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158415&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522747 254816886 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300962 O=C(N1CCCc2ccccc12)c1ccc(cc1)C(=O)c1cnc2ccccn12 InChI=1S/C24H19N3O2/c28-23(21-16-25-22-9-3-4-14-26(21)22)18-10-12-19(13-11-18)24(29)27-15-5-7-17-6-1-2-8-20(17)27/h1-4,6,8-14,16H,5,7,15H2 DIONXHCXPVUSIO-UHFFFAOYSA-N 158416 US9029393, 71 Adenosine receptor A2a Homo sapiens 171 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522801 254816887 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300963 Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1 InChI=1S/C22H22FN5O/c1-26-18-12-15(22(29)27-10-4-2-3-5-11-27)6-8-17(18)21(25-26)19-13-24-20-9-7-16(23)14-28(19)20/h6-9,12-14H,2-5,10-11H2,1H3 UHHQVFISQIWHNE-UHFFFAOYSA-N 158417 US9029393, 79 Adenosine receptor A2a Homo sapiens 4 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46847095 254816888 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300964 Cn1nc(-c2cnc3ccc(cn23)C(F)(F)F)c2ccc(cc12)C(=O)N1CCCCCC1 InChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3 QJVANQWLCDXXMG-UHFFFAOYSA-N 158418 US9029393, 85 Adenosine receptor A2a Homo sapiens 177 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522713 254816889 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300965 Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCCC1 InChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3 LNFQZISFKWDTLB-UHFFFAOYSA-N 158419 US9029393, 97 Adenosine receptor A2a Homo sapiens 3 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158419&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522781 254816890 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300966 COC[C@H]1CCCN1C(=O)c1ccc2c(nn(C)c2c1)-c1cnc2ccc(cn12)C#N InChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1 DXNSJZNPTGVXTF-QGZVFWFLSA-N 50011298 CHEMBL3260730::US9029393, 101 Adenosine receptor A2a Homo sapiens 3 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011298&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846866 242057804 CHEMBL3260730 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300967 Fc1ccc2ncc(-c3nn(Cc4ccccc4)c4cc(ccc34)C(=O)N3CCCCCC3)n2c1 InChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2 QOVYCZMAVLCEJF-UHFFFAOYSA-N 158420 US9029393, 107 Adenosine receptor A2a Homo sapiens 34 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522803 254816891 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300968 CN1CCN(CC1)C(=O)n1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1 InChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3 SZQAEQZORIFLTJ-UHFFFAOYSA-N 158421 US9029393, 111 Adenosine receptor A2a Homo sapiens 291 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522805 254816892 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300969 Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2 BJPPZBFNKQTDEC-UHFFFAOYSA-N 50011299 CHEMBL3260731::US9029393, 113 Adenosine receptor A2a Homo sapiens 4 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522807 242057805 CHEMBL3260731 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300970 O=C(N1CCOCC1)c1ccc2c(noc2c1)-c1cnc2ccc(cn12)[N+]#[C-] InChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2 IXNICTFAAMRHNZ-UHFFFAOYSA-N 158422 US9029393, 125 Adenosine receptor A2a Homo sapiens 147 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522794 254816893 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300971 CCN(C1CCCCC1)C(=O)c1ccc2nc(oc2c1)-c1cnc2ccccn12 InChI=1S/C23H24N4O2/c1-2-26(17-8-4-3-5-9-17)23(28)16-11-12-18-20(14-16)29-22(25-18)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17H,2-5,8-9H2,1H3 ANKXUVKUUKWNJU-UHFFFAOYSA-N 158423 US9029393, 129 Adenosine receptor A2a Homo sapiens 256 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522797 254816894 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300972 Fc1ccc2ncc(-n3nnc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 InChI=1S/C20H19FN6O/c21-15-6-8-18-22-12-19(26(18)13-15)27-17-7-5-14(11-16(17)23-24-27)20(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2 URNCSWGGFSAWPD-UHFFFAOYSA-N 158424 US9029393, 132 Adenosine receptor A2a Homo sapiens 72 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158424&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522714 254816895 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300973 Fc1ccc2ncc(-c3c[nH]c4cc(ccc34)C(=O)N3CCCCCC3)n2c1 InChI=1S/C22H21FN4O/c23-16-6-8-21-25-13-20(27(21)14-16)18-12-24-19-11-15(5-7-17(18)19)22(28)26-9-3-1-2-4-10-26/h5-8,11-14,24H,1-4,9-10H2 OYFDSVYUUABMAR-UHFFFAOYSA-N 158425 US9029393, 134 Adenosine receptor A2a Homo sapiens 348 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522792 254816896 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300974 Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(cc2n1)C(=O)N1CCCCCC1 InChI=1S/C22H21FN6O/c23-15-6-8-19-25-12-18(29(19)13-15)20-16-7-5-14(11-17(16)26-22(24)27-20)21(30)28-9-3-1-2-4-10-28/h5-8,11-13H,1-4,9-10H2,(H2,24,26,27) KAUYYUTZOLDHOF-UHFFFAOYSA-N 158426 US9029393, 136 Adenosine receptor A2a Homo sapiens 84 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158426&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522741 254816897 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 300975 CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Cl)nn12 InChI=1S/C22H23ClN4O2/c1-2-26(17-6-4-3-5-7-17)22(29)16-10-8-15(9-11-16)21(28)18-14-24-20-13-12-19(23)25-27(18)20/h8-14,17H,2-7H2,1H3 WURNROSIJDLPMN-UHFFFAOYSA-N 158427 US9029393, 139 Adenosine receptor A2a Homo sapiens 459 US Patent 10.7270/Q2D50KQH aid1801228 US9029393 Schann, S; Mayer, S Kaldi Pharma, SAS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=158427&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46847215 254816898 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 312176 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 30 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 312212 Cn1cc2c(n1)nc(NC(=O)CCCc1cn(CCCCCCNC(=O)c3ccc(c(c3)C([O-])=O)-c3c4ccc(N)c(c4oc4c(c(=[NH2+])ccc34)S([O-])(=O)=O)S([O-])(=O)=O)nn1)n1nc(nc21)-c1ccco1 InChI=1S/C44H41N13O12S2/c1-55-22-29-39(52-55)50-44(57-41(29)49-40(53-57)32-9-7-19-68-32)48-33(58)10-6-8-24-21-56(54-51-24)18-5-3-2-4-17-47-42(59)23-11-12-25(28(20-23)43(60)61)34-26-13-15-30(45)37(70(62,63)64)35(26)69-36-27(34)14-16-31(46)38(36)71(65,66)67/h7,9,11-16,19-22,45H,2-6,8,10,17-18,46H2,1H3,(H,47,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,48,50,52,58)/p-2 XEABBZPOOUCNPW-UHFFFAOYSA-L 60936 US9227979, MRS5763 Adenosine receptor A2a Homo sapiens 90 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=60936&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 124081204 329586193 ZINC07985208 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321399 COC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-4-6-10(7-5-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18) NEDDQPYELRWGIF-UHFFFAOYSA-N 175364 1,3-Dimethyl-8-[4-(2-methoxy-2-oxoethoxy)-phenyl]xanthine (13, RB-419) Adenosine receptor A2a Homo sapiens 1.7e+2 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175364&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986874 313044137 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321400 COC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C16H16N4O5/c1-19-14-12(15(22)20(2)16(19)23)17-13(18-14)9-5-4-6-10(7-9)25-8-11(21)24-3/h4-7H,8H2,1-3H3,(H,17,18) GNBBWIKMBBOXTN-UHFFFAOYSA-N 175365 1,3-Dimethyl-8-[3-(2-methoxy-2-oxoethoxy)-phenyl]xanthine (14, RB-374) Adenosine receptor A2a Homo sapiens 375 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175365&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986875 313044138 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321401 COC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(11(7-9)25-3)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19) MTOFXPUIJBFYDT-UHFFFAOYSA-N 175366 1,3-Dimethyl-8-[{4-(2-methoxy-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15, RB-384) Adenosine receptor A2a Homo sapiens 4.38e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175366&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986876 313044139 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321402 COC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H18N4O6/c1-20-15-13(16(23)21(2)17(20)24)18-14(19-15)9-5-6-10(25-3)11(7-9)27-8-12(22)26-4/h5-7H,8H2,1-4H3,(H,18,19) GFRZDWZANLHYRS-UHFFFAOYSA-N 175367 1,3-Dimethyl-8-[{3-(2-methoxy-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16, RB-410) Adenosine receptor A2a Homo sapiens 717 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175367&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986877 313044140 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321403 CN(C)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H24N6O4/c1-23(2)10-9-20-14(26)11-29-13-7-5-12(6-8-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-8H,9-11H2,1-4H3,(H,20,26)(H,21,22) KMOXRBQNLUFHEG-UHFFFAOYSA-N 175368 1,3-Dimethyl-8-[4-{2-(dimethylaminoethylamino)-2-oxoethoxy}-phenyl]xanthine (13a, RB-420) Adenosine receptor A2a Homo sapiens 1e+2 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175368&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986878 313044141 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321404 CCN(CC)CCNC(=O)COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H28N6O4/c1-5-27(6-2)12-11-22-16(28)13-31-15-9-7-14(8-10-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-10H,5-6,11-13H2,1-4H3,(H,22,28)(H,23,24) HTRTYJCHNCFLGF-UHFFFAOYSA-N 175369 8-[4-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phenyl]-1,3-dimethylxanthine (13b, RB-421) Adenosine receptor A2a Homo sapiens 63 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175369&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986879 313044142 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321405 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCC2)cc1 InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(25)24-9-3-4-10-24/h5-8H,3-4,9-11H2,1-2H3,(H,20,21) NFIYOVPEXZSLQY-UHFFFAOYSA-N 175370 1,3-Dimethyl-8-[4-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13c, RB-426) Adenosine receptor A2a Homo sapiens 122 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175370&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986880 313044143 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321406 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCC2)cc1 InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-6-8-14(9-7-13)29-12-15(26)25-10-4-3-5-11-25/h6-9H,3-5,10-12H2,1-2H3,(H,21,22) YOBQPFOVDQGNEV-UHFFFAOYSA-N 175371 1,3-Dimethyl-8-[4-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13d, RB-427) Adenosine receptor A2a Homo sapiens 178 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45041502 313044144 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321407 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCCCCC2)cc1 InChI=1S/C21H25N5O4/c1-4-5-6-7-15(22)16(27)12-30-14-10-8-13(9-11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h8-11,22H,4-7,12H2,1-3H3,(H,23,24) DPESHBSWMQQHOR-UHFFFAOYSA-N 175372 1,3-Dimethyl-8-[4-{2-(hexamethyleneimin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13e, RB-424) Adenosine receptor A2a Homo sapiens 273 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175372&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986881 313044145 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321408 CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)N2CCOCC2)cc1 InChI=1S/C19H23N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-3-5-13(6-4-12)29-11-14(25)24-7-9-28-10-8-24/h3-6,15,17H,7-11H2,1-2H3,(H,20,21) QLAJNJXYWFVPBN-UHFFFAOYSA-N 175373 1,3-Dimethyl-8-[4-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (13f, RB-423) Adenosine receptor A2a Homo sapiens 283 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175373&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986882 313044146 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321409 CN1CCN(CC1)C(=O)COc1ccc(cc1)C1=NC2C(N1)C(=O)N(C)C(=O)N2C InChI=1S/C20H26N6O4/c1-23-8-10-26(11-9-23)15(27)12-30-14-6-4-13(5-7-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-7,16,18H,8-12H2,1-3H3,(H,21,22) HBOSMKWFLXUBLY-UHFFFAOYSA-N 175374 1,3-Dimethyl-8-[4-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]xanthine (13g, RB-425) Adenosine receptor A2a Homo sapiens 193 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175374&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986883 313044147 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321410 CN1C2N=C(NC2C(=O)N(C)C1=O)c1ccc(OCC(=O)n2ccnc2)cc1 InChI=1S/C18H18N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-3-5-12(6-4-11)28-9-13(25)24-8-7-19-10-24/h3-8,10,14,16H,9H2,1-2H3,(H,20,21) AZXUQDNXAPWHRV-UHFFFAOYSA-N 175375 1,3-Dimethyl-8-[4-{2-(imidazol-1-yl)-2-oxoethoxy}-phenyl] xanthine (13h, RB-447) Adenosine receptor A2a Homo sapiens 2.69e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175375&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986884 313044148 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321411 COc1ccc(CCNC(=O)COc2ccc(cc2)C2=NC3C(N2)C(=O)N(C)C(=O)N3C)cc1OC InChI=1S/C25H29N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-8-17(9-7-16)36-14-20(31)26-12-11-15-5-10-18(34-3)19(13-15)35-4/h5-10,13,21,23H,11-12,14H2,1-4H3,(H,26,31)(H,27,28) NUPAVXPUUAMNMT-UHFFFAOYSA-N 175376 1,3-Dimethyl-8-[4-{2-(homoveratrylamino)-2-oxoethoxy}-phenyl]xanthine (13i, RB-422) Adenosine receptor A2a Homo sapiens 128 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175376&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986885 313044149 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321412 CN(C)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H24N6O4/c1-23(2)9-8-20-14(26)11-29-13-7-5-6-12(10-13)16-21-15-17(22-16)24(3)19(28)25(4)18(15)27/h5-7,10H,8-9,11H2,1-4H3,(H,20,26)(H,21,22) YKXVIXWCJKBOMG-UHFFFAOYSA-N 175377 1,3-Dimethyl-8-[3-{2-(dimethylaminoethylamino)-2-oxoethoxy}-phenyl]xanthine (14a, RB-379) Adenosine receptor A2a Homo sapiens 163 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175377&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986886 313044150 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321413 CCN(CC)CCNC(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H28N6O4/c1-5-27(6-2)11-10-22-16(28)13-31-15-9-7-8-14(12-15)18-23-17-19(24-18)25(3)21(30)26(4)20(17)29/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,22,28)(H,23,24) SBNHYDQELDLRRV-UHFFFAOYSA-N 175378 8-[3-{2-(Diethylaminoethylamino)-2-oxoethoxy}-phenyl]-1,3-dimethylxanthine (14b, RB-378) Adenosine receptor A2a Homo sapiens 179 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175378&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986887 313044151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321414 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCC2)c1 InChI=1S/C19H21N5O4/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-6-5-7-13(10-12)28-11-14(25)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21) YVKFALMAWNALPA-UHFFFAOYSA-N 175379 1,3-Dimethyl-8-[3-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14c, RB-381) Adenosine receptor A2a Homo sapiens 237 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175379&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986888 313044152 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321415 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCC2)c1 InChI=1S/C20H23N5O4/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)13-7-6-8-14(11-13)29-12-15(26)25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,21,22) DGKIMYPQSMUZKA-UHFFFAOYSA-N 175380 1,3-Dimethyl-8-[3-{2-(piperidin-1-yl)]-2-oxoethoxy}-phenyl]xanthine (14d, RB-382) Adenosine receptor A2a Homo sapiens 209 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175380&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986889 313044153 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321416 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCCCCC2)c1 InChI=1S/C21H25N5O4/c1-4-5-6-10-15(22)16(27)12-30-14-9-7-8-13(11-14)18-23-17-19(24-18)25(2)21(29)26(3)20(17)28/h7-9,11,22H,4-6,10,12H2,1-3H3,(H,23,24) BHFXZRQADPNPPA-UHFFFAOYSA-N 175381 1,3-Dimethyl-8-[3-{2-(hexamethyleneimin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14e, RB-376) Adenosine receptor A2a Homo sapiens 226 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986890 313044154 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321417 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)N2CCOCC2)c1 InChI=1S/C19H21N5O5/c1-22-17-15(18(26)23(2)19(22)27)20-16(21-17)12-4-3-5-13(10-12)29-11-14(25)24-6-8-28-9-7-24/h3-5,10H,6-9,11H2,1-2H3,(H,20,21) GGUBALWRKUTXNZ-UHFFFAOYSA-N 175382 1,3-Dimethyl-8-[3-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (14f, RB-375) Adenosine receptor A2a Homo sapiens 679 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175382&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986891 313044155 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321418 CN1CCN(CC1)C(=O)COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H24N6O4/c1-23-7-9-26(10-8-23)15(27)12-30-14-6-4-5-13(11-14)17-21-16-18(22-17)24(2)20(29)25(3)19(16)28/h4-6,11H,7-10,12H2,1-3H3,(H,21,22) HMJZPPMWAXVKOW-UHFFFAOYSA-N 175383 1,3-Dimethyl-8-[3-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]xanthine (14g, RB-380) Adenosine receptor A2a Homo sapiens 561 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175383&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986892 313044156 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321419 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCC(=O)n2ccnc2)c1 InChI=1S/C18H16N6O4/c1-22-16-14(17(26)23(2)18(22)27)20-15(21-16)11-4-3-5-12(8-11)28-9-13(25)24-7-6-19-10-24/h3-8,10H,9H2,1-2H3,(H,20,21) ZNAQFRZHTVLHSP-UHFFFAOYSA-N 175384 1,3-Dimethyl-8-[3-{2-(imidazol-1-yl)-2-oxoethoxy}-phenyl]xanthine (14h, RB-445) Adenosine receptor A2a Homo sapiens 509 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175384&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986893 313044157 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321420 COc1ccc(CCNC(=O)COc2cccc(c2)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C25H27N5O6/c1-29-23-21(24(32)30(2)25(29)33)27-22(28-23)16-6-5-7-17(13-16)36-14-20(31)26-11-10-15-8-9-18(34-3)19(12-15)35-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,26,31)(H,27,28) CQMZWYQNQJMCCO-UHFFFAOYSA-N 175385 1,3-Dimethyl-8-[3-{2-(homoveratrylamino)-2-oxoethoxy}-phenyl]xanthine (14i, RB-377) Adenosine receptor A2a Homo sapiens 1.39e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175385&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986894 313044158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321421 COc1cc(ccc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-13-7-6-12(10-14(13)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23) IFAPAINJNCAIEX-UHFFFAOYSA-N 175386 1,3-Dimethyl-8-[{4-(2-(dimethylaminoethylamino)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15a, RB-386) Adenosine receptor A2a Homo sapiens 821 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175386&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986895 313044159 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321422 CCN(CC)CCNC(=O)COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-15-9-8-14(12-16(15)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25) POHMJKWKQLDWJH-UHFFFAOYSA-N 175387 8-[{4-(2-(Diethylaminoethylamino)-2-oxoethoxy)-3-methoxy}-phenyl]-1,3-dimethyl-xanthine (15b, RB-388) Adenosine receptor A2a Homo sapiens 692 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175387&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986896 313044160 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321423 COc1cc(ccc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(14(10-12)29-3)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22) LVHVGUNCVPTISU-UHFFFAOYSA-N 175388 1,3-Dimethyl-8-[3-methoxy-4-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15c, RB-392) Adenosine receptor A2a Homo sapiens 4.57e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175388&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986897 313044161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321424 COc1cc(ccc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(15(11-13)30-3)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23) WFLGRDUCNJNMNI-UHFFFAOYSA-N 175389 1,3-Dimethyl-8-[3-methoxy-4-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15d, RB-391) Adenosine receptor A2a Homo sapiens 3.35e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175389&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986898 313044162 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321425 COc1cc(ccc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(16(12-14)31-3)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24) LLOHYALDWMUHGF-UHFFFAOYSA-N 175390 1,3-Dimethyl-8-[{4-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15e, RB-387) Adenosine receptor A2a Homo sapiens 2.41e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175390&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986899 313044163 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321426 COc1cc(ccc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O6/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-4-5-13(14(10-12)29-3)31-11-15(26)25-6-8-30-9-7-25/h4-5,10H,6-9,11H2,1-3H3,(H,21,22) YSMSNIVQSRISSP-UHFFFAOYSA-N 175391 1,3-Dimethyl-8-[3-methoxy-4-{2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]xanthine (15f, RB-385) Adenosine receptor A2a Homo sapiens 2.74e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175391&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986900 313044164 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321427 COc1cc(ccc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-14-6-5-13(11-15(14)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23) CKJJCLAGQDVVOH-UHFFFAOYSA-N 175392 1,3-Dimethyl-8-[3-methoxy-4-{2-(1-methylpiperazin-4-yl)-2-oxoethoxy}-phenyl]-xanthine (15g, RB-446) Adenosine receptor A2a Homo sapiens 4.21e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175392&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986901 313044165 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321428 COc1cc(ccc1OCC(=O)n1ccnc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H18N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(13(8-11)29-3)30-9-14(26)25-7-6-20-10-25/h4-8,10H,9H2,1-3H3,(H,21,22) IMWFUDXESXPFJA-UHFFFAOYSA-N 175393 1,3-Dimethyl-8-[{4-(2-(imidazol-1-yl)-2-oxoethoxy)-3-methoxy}-phenyl]xanthine (15h, RB-390) Adenosine receptor A2a Homo sapiens 7.74e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175393&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986902 313044166 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321429 COc1ccc(CCNC(=O)COc2ccc(cc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(20(13-16)37-5)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)36-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29) BFYUKZCEESTNPD-UHFFFAOYSA-N 175394 1,3-Dimethyl-8-[{4-(2-(homoveratrylamino)-2-oxoethoxy)-3-methoxy}-phenyl]-xanthine (15i, RB-389) Adenosine receptor A2a Homo sapiens 843 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175394&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986903 313044167 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321430 COc1ccc(cc1OCC(=O)NCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H26N6O5/c1-24(2)9-8-21-15(27)11-31-14-10-12(6-7-13(14)30-5)17-22-16-18(23-17)25(3)20(29)26(4)19(16)28/h6-7,10H,8-9,11H2,1-5H3,(H,21,27)(H,22,23) HRFAEZWDSALPPI-UHFFFAOYSA-N 175395 1,3-Dimethyl-8-[{3-(2-(dimethylaminoethylamino)-2-oxoethoxy)-4-methoxy}-phenyl]-xanthine (16a, RB-413) Adenosine receptor A2a Homo sapiens 75 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175395&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986904 313044168 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321431 CCN(CC)CCNC(=O)COc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H30N6O5/c1-6-28(7-2)11-10-23-17(29)13-33-16-12-14(8-9-15(16)32-5)19-24-18-20(25-19)26(3)22(31)27(4)21(18)30/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,23,29)(H,24,25) WBKKRRRQOWLLBK-UHFFFAOYSA-N 175396 8-[{3-(2-(Diethylaminoethylamino)-2-oxoethoxy)-4-methoxy}phenyl]-1,3-dimethylxanthine (16b, RB-411) Adenosine receptor A2a Homo sapiens 126 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175396&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986905 313044169 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321432 COc1ccc(cc1OCC(=O)N1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O5/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-6-7-13(29-3)14(10-12)30-11-15(26)25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22) NTOPCEYEXCCFNE-UHFFFAOYSA-N 175397 1,3-Dimethyl-8-[4-methoxy-3-{2-(pyrrolidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16c, RB-414) Adenosine receptor A2a Homo sapiens 259 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175397&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986906 313044170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321433 COc1ccc(cc1OCC(=O)N1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H25N5O5/c1-24-19-17(20(28)25(2)21(24)29)22-18(23-19)13-7-8-14(30-3)15(11-13)31-12-16(27)26-9-5-4-6-10-26/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,22,23) BMBWRZPUMJHDJI-UHFFFAOYSA-N 175398 1,3-Dimethyl-8-[4-methoxy-3-{2-(piperidin-1-yl)-2-oxoethoxy}-phenyl]xanthine (16d, RB-417) Adenosine receptor A2a Homo sapiens 76 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175398&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986907 313044171 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321434 COc1ccc(cc1OCC(=O)N1CCCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C22H27N5O5/c1-25-20-18(21(29)26(2)22(25)30)23-19(24-20)14-8-9-15(31-3)16(12-14)32-13-17(28)27-10-6-4-5-7-11-27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,23,24) IDGFGLTVKLOCMJ-UHFFFAOYSA-N 175399 1,3-Dimethyl-8-[{3-(2-(hexamethyleneimin-1-yl)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16e, RB-449) Adenosine receptor A2a Homo sapiens 94 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175399&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986908 313044172 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321435 COc1ccc(cc1OCC(=O)N1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H23N5O6/c1-23-18-16(19(27)24(2)20(23)28)21-17(22-18)12-4-5-13(29-3)14(10-12)31-11-15(26)25-6-8-30-9-7-25/h4-5,10H,6-9,11H2,1-3H3,(H,21,22) RAWZXLWRGULNGN-UHFFFAOYSA-N 175400 1,3-Dimethyl-8-[4-methoxy-3-{(2-(morpholin-1-yl)-2-oxoethoxy}-phenyl]-xanthine (16f, RB-415) Adenosine receptor A2a Homo sapiens 466 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175400&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986909 313044173 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321436 COc1ccc(cc1OCC(=O)N1CCN(C)CC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H26N6O5/c1-24-7-9-27(10-8-24)16(28)12-32-15-11-13(5-6-14(15)31-4)18-22-17-19(23-18)25(2)21(30)26(3)20(17)29/h5-6,11H,7-10,12H2,1-4H3,(H,22,23) XPDRAVHADRZCQU-UHFFFAOYSA-N 175401 1,3-Dimethyl-8-[4-methoxy-3-{2-(1-methylpiperazin-4-yl)-2-oxo-ethoxy}-phenyl]xanthine (16g, RB-416) Adenosine receptor A2a Homo sapiens 685 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175401&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986910 313044174 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321437 COc1ccc(cc1OCC(=O)N1CCN=C1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H20N6O5/c1-23-17-15(18(27)24(2)19(23)28)21-16(22-17)11-4-5-12(29-3)13(8-11)30-9-14(26)25-7-6-20-10-25/h4-5,8,10H,6-7,9H2,1-3H3,(H,21,22) UFDSXJSHQYVRHF-UHFFFAOYSA-N 175402 1,3-Dimethyl-8-[{3-(2-(imidazol-1-yl)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16h, RB-450) Adenosine receptor A2a Homo sapiens 1.12e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175402&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986911 313044175 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 321438 COc1ccc(CCNC(=O)COc2cc(ccc2OC)-c2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1OC InChI=1S/C26H29N5O7/c1-30-24-22(25(33)31(2)26(30)34)28-23(29-24)16-7-9-18(36-4)20(13-16)38-14-21(32)27-11-10-15-6-8-17(35-3)19(12-15)37-5/h6-9,12-13H,10-11,14H2,1-5H3,(H,27,32)(H,28,29) LTDQAWJREJGEPO-UHFFFAOYSA-N 175403 1,3-Dimethyl-8-[{3-(2-(homoveratrylamino)-2-oxoethoxy)-4-methoxy}-phenyl]xanthine (16i, RB-412) Adenosine receptor A2a Homo sapiens 772 Curated from the literature by BindingDB 10.1016/j.bioorg.2016.01.003 10.7270/Q2C53JN1 26851736 aid1801533 Yadav, R; Bansal, R; Rohilla, S; Kachler, S; Klotz, KN Panjab University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=175403&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118986912 313044176 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323812 CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C18H15N5OS2/c1-19-14-8-12-17(26-14)15(16(24)13-5-3-7-25-13)23-18(22-12)21-10-11-4-2-6-20-9-11/h2-9,19H,10H2,1H3,(H,21,22,23) RMJSDWIAVCAAMH-UHFFFAOYSA-N 50310923 CHEMBL1077943::US9120807, 6::{6-Methylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A2a Homo sapiens 276.8 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310923&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207803 104145284 CHEMBL1077943 ZINC49112411 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323813 CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23) VGLSCMPCDPYQTM-UHFFFAOYSA-N 50310925 CHEMBL1081160::US9120807, 7::{6-dimethylamino-2-[(pyridine-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A2a Homo sapiens 318.3 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310925&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230881 104145286 CHEMBL1081160 ZINC49033046 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323814 CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24) GQSJGNQPKLGYJZ-UHFFFAOYSA-N 50310924 CHEMBL1080421::US9120807, 8::{6-Ethylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A2a Homo sapiens 726.3 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310924&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230948 104145285 CHEMBL1080421 ZINC49032735 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323815 Nc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C17H13N5OS2/c18-13-7-11-16(25-13)14(15(23)12-4-2-6-24-12)22-17(21-11)20-9-10-3-1-5-19-8-10/h1-8H,9,18H2,(H,20,21,22) TWNISLQLWKPWDI-UHFFFAOYSA-N 50310922 CHEMBL1080241::US9120807, 9::{6-Amino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone Adenosine receptor A2a Homo sapiens 1400 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50310922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50310922&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230949 104145283 CHEMBL1080241 ZINC49033067 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323816 C=Cc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H14N4OS2/c1-2-13-9-14-18(26-13)16(17(24)15-6-4-8-25-15)23-19(22-14)21-11-12-5-3-7-20-10-12/h2-10H,1,11H2,(H,21,22,23) STQYXQGAZSYWDR-UHFFFAOYSA-N 177998 US9120807, 10 Adenosine receptor A2a Homo sapiens 3750 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=177998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=177998&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230950 313048444 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323817 CCc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 InChI=1S/C19H16N4OS2/c1-2-13-9-14-18(26-13)16(17(24)15-6-4-8-25-15)23-19(22-14)21-11-12-5-3-7-20-10-12/h3-10H,2,11H2,1H3,(H,21,22,23) FARDIRBBHGVIGJ-UHFFFAOYSA-N 177999 US9120807, 11 Adenosine receptor A2a Homo sapiens 3750 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=177999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=177999&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230951 313048445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 323818 O=C(c1cccs1)c1nc(NCc2cccnc2)nc2cc(NCc3cccnc3)sc12 InChI=1S/C23H18N6OS2/c30-21(18-6-3-9-31-18)20-22-17(10-19(32-22)26-13-15-4-1-7-24-11-15)28-23(29-20)27-14-16-5-2-8-25-12-16/h1-12,26H,13-14H2,(H,27,28,29) BXEPZMXZIXWQED-UHFFFAOYSA-N 178000 US9120807, 12 Adenosine receptor A2a Homo sapiens 828.3 US Patent 10.7270/Q2NG4PDH aid1801562 US9120807 Jordan, A; Bedford, S; Burkhard, K; Yule, I; Poullennec, K Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=178000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=178000&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25230952 313048446 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327839 Cn1c(nc2c(N)nc(CCCCO)nc12)-n1nccn1 InChI=1S/C12H16N8O/c1-19-11-9(18-12(19)20-14-5-6-15-20)10(13)16-8(17-11)4-2-3-7-21/h5-6,21H,2-4,7H2,1H3,(H2,13,16,17) LXKQSSJIYWOEPP-UHFFFAOYSA-N 181010 US9133197, 1 Adenosine receptor A2a Homo sapiens 53 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912311 313363125 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327840 CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17) HMSFWLUZEDMXMM-UHFFFAOYSA-N 50011300 CHEMBL2398482::US9133197, 2 Adenosine receptor A2a Homo sapiens 8 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011300&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66678431 242057806 CHEMBL2398482 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327841 C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1 HMSFWLUZEDMXMM-ZETCQYMHSA-N 181011 US9133197, 3 Adenosine receptor A2a Homo sapiens 19 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181011&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912312 313363126 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327842 C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1 HMSFWLUZEDMXMM-SSDOTTSWSA-N 181012 US9133197, 4 Adenosine receptor A2a Homo sapiens 8 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181012&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912315 313363127 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327843 CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,17,18) WGABQFRWHDCFEU-UHFFFAOYSA-N 181013 US9133197, 5 Adenosine receptor A2a Homo sapiens 22 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912313 313363128 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327844 CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,17,18) DCITZRYVYKMQQH-UHFFFAOYSA-N 181014 US9133197, 6 Adenosine receptor A2a Homo sapiens 19 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=181014&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912316 313363129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 327845 CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17) PLXYHOBIHWLDSZ-UHFFFAOYSA-N 50011301 CHEMBL2398486::US9133197, 7 Adenosine receptor A2a Homo sapiens 12 7.4 US Patent 10.7270/Q2542MB7 aid1801636 US9133197 Cabri, W; Minetti, P; Piersanti, G; Tarzia, G Sigma-Tau Industrie Farmaceutiche Riunite SpA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912314 242057807 CHEMBL2398486 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343421 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1 InChI=1S/C21H15FN6OS/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29) BUPQTCPEJNYADY-UHFFFAOYSA-N 191774 US9187428, 2 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68617983 317223036 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343422 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C22H18N6O2S/c1-26-21(29)18-9-13(7-8-27-18)12-31-22-17(11-24)19(16(10-23)20(25)28-22)14-3-5-15(30-2)6-4-14/h3-9H,12H2,1-2H3,(H2,25,28)(H,26,29) TZRCHVDHHHPQKY-UHFFFAOYSA-N 191775 US9187428, 3 Adenosine receptor A2a Homo sapiens 425 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68619112 317223037 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343423 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) FANKFIQCLPRMTG-UHFFFAOYSA-N 191776 US9187428, 4::US9187428, 53 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592011 317223038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343424 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1 InChI=1S/C23H18N6O3S/c1-27-22(30)17-8-13(4-5-28-17)12-33-23-16(11-25)20(15(10-24)21(26)29-23)14-2-3-18-19(9-14)32-7-6-31-18/h2-5,8-9H,6-7,12H2,1H3,(H2,26,29)(H,27,30) SUNDMAKIAUTEHN-UHFFFAOYSA-N 191778 US9187428, 6 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68597393 317223039 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343425 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCC(C)(C)O)cc3)c2C#N)ccn1 InChI=1S/C25H24N6O3S/c1-25(2,33)14-34-17-6-4-16(5-7-17)21-18(11-26)22(28)31-24(19(21)12-27)35-13-15-8-9-30-20(10-15)23(32)29-3/h4-10,33H,13-14H2,1-3H3,(H2,28,31)(H,29,32) XQOOPCOOQAMMQP-UHFFFAOYSA-N 191779 US9187428, 7 Adenosine receptor A2a Homo sapiens 460 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191779&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68597350 317223040 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343426 Nc1nc(SCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30) ZZDYGBAXSRKELQ-UHFFFAOYSA-N 191785 US9187428, 13 Adenosine receptor A2a Homo sapiens 108 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191785&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68613928 317223041 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343427 Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccc(F)cc2)c1C#N InChI=1S/C21H13FN4O2S/c22-15-6-4-13(5-7-15)18-16(9-23)19(25)26-20(17(18)10-24)29-11-12-2-1-3-14(8-12)21(27)28/h1-8H,11H2,(H2,25,26)(H,27,28) GXIGLULYZQIHGN-UHFFFAOYSA-N 191786 US9187428, 14 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191786&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68597381 317223042 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343428 OC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H13N3O2S/c22-10-17-12-24-20(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)21(25)26/h1-9,12H,13H2,(H,25,26) NIEOZFINVHWHCA-UHFFFAOYSA-N 191787 US9187428, 15 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191787&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68596111 317223043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343429 CNC(=O)c1cc(COc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)ccn1 InChI=1S/C21H15FN6O2/c1-26-20(29)17-8-12(6-7-27-17)11-30-21-16(10-24)18(15(9-23)19(25)28-21)13-2-4-14(22)5-3-13/h2-8H,11H2,1H3,(H2,25,28)(H,26,29) IMPZNZTUWCSHTB-UHFFFAOYSA-N 191793 US9187428, 21 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191793&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631060 317223044 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343430 CCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N InChI=1S/C23H20N6O2S/c1-3-31-16-6-4-15(5-7-16)20-17(11-24)21(26)29-23(18(20)12-25)32-13-14-8-9-28-19(10-14)22(30)27-2/h4-10H,3,13H2,1-2H3,(H2,26,29)(H,27,30) FYESXGROCPLGGI-UHFFFAOYSA-N 191798 US9187428, 26 Adenosine receptor A2a Homo sapiens 65 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68606791 317223045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343431 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(OC)c3)c2C#N)ccn1 InChI=1S/C22H17FN6O2S/c1-27-21(30)17-7-12(5-6-28-17)11-32-22-15(10-25)19(14(9-24)20(26)29-22)13-3-4-16(23)18(8-13)31-2/h3-8H,11H2,1-2H3,(H2,26,29)(H,27,30) GRJPTWQKDOFDHF-UHFFFAOYSA-N 191799 US9187428, 27 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191799&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68604809 317223046 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343432 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(NC)cc3)c2C#N)ccn1 InChI=1S/C22H19N7OS/c1-26-15-5-3-14(4-6-15)19-16(10-23)20(25)29-22(17(19)11-24)31-12-13-7-8-28-18(9-13)21(30)27-2/h3-9,26H,12H2,1-2H3,(H2,25,29)(H,27,30) NTAVNMNECDTIHC-UHFFFAOYSA-N 191800 US9187428, 28 Adenosine receptor A2a Homo sapiens 1640 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191800&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68604883 317223047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343433 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C#N)ccn1 InChI=1S/C23H20N6O3S/c1-27-22(31)19-9-14(5-6-28-19)13-33-23-18(12-25)20(17(11-24)21(26)29-23)15-3-2-4-16(10-15)32-8-7-30/h2-6,9-10,30H,7-8,13H2,1H3,(H2,26,29)(H,27,31) HJBORWZYZBZOKH-UHFFFAOYSA-N 191801 US9187428, 29 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191801&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68047404 317223048 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343434 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OCCO)cc3)c2C#N)ccn1 InChI=1S/C23H19N5O3S/c1-26-22(30)20-10-15(6-7-27-20)14-32-23-19(12-25)21(17(11-24)13-28-23)16-2-4-18(5-3-16)31-9-8-29/h2-7,10,13,29H,8-9,14H2,1H3,(H,26,30) AQBHPJGCFMEZLW-UHFFFAOYSA-N 191802 US9187428, 30 Adenosine receptor A2a Homo sapiens 1110 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191802&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68047402 317223049 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343435 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C22H17N5O2S/c1-25-21(28)19-9-14(7-8-26-19)13-30-22-18(11-24)20(16(10-23)12-27-22)15-3-5-17(29-2)6-4-15/h3-9,12H,13H2,1-2H3,(H,25,28) LYEJXPMWXNERKG-UHFFFAOYSA-N 191803 US9187428, 31 Adenosine receptor A2a Homo sapiens 707 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191803&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68615584 317223050 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343436 CNC(=O)c1cc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C21H15N5OS/c1-24-20(27)18-9-14(7-8-25-18)13-28-21-17(11-23)19(16(10-22)12-26-21)15-5-3-2-4-6-15/h2-9,12H,13H2,1H3,(H,24,27) OEBWKIWBLVALPQ-UHFFFAOYSA-N 191804 US9187428, 32 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68614454 317223051 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343437 NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27) CNCRFHGLUXOHFK-UHFFFAOYSA-N 191805 US9187428, 33 Adenosine receptor A2a Homo sapiens 117 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191805&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68615669 317223052 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343438 CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1 InChI=1S/C21H16FN5O2S2/c1-31(28,29)27-16-4-2-3-13(9-16)12-30-21-18(11-24)19(17(10-23)20(25)26-21)14-5-7-15(22)8-6-14/h2-9,27H,12H2,1H3,(H2,25,26) UEDYCSRCDNDCLO-UHFFFAOYSA-N 191809 US9187428, 37 Adenosine receptor A2a Homo sapiens 1780 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68605180 317223053 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343439 CS(=O)(=O)Nc1cccc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)c1 InChI=1S/C21H15F2N5O2S2/c1-32(29,30)28-14-4-2-3-12(7-14)11-31-21-16(10-25)19(15(9-24)20(26)27-21)13-5-6-17(22)18(23)8-13/h2-8,28H,11H2,1H3,(H2,26,27) GJYWCDABXNMGIQ-UHFFFAOYSA-N 191810 US9187428, 38 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191810&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68606147 317223054 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343440 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3OC)c2C#N)ccn1 InChI=1S/C23H20N6O3S/c1-27-22(30)18-8-13(6-7-28-18)12-33-23-17(11-25)20(16(10-24)21(26)29-23)15-5-4-14(31-2)9-19(15)32-3/h4-9H,12H2,1-3H3,(H2,26,29)(H,27,30) KXKGESVADAZNSM-UHFFFAOYSA-N 191816 US9187428, 44 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68606242 317223055 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343441 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OS(=O)(=O)N(C)C)cc3)c2C#N)ccn1 InChI=1S/C23H21N7O4S2/c1-27-22(31)19-10-14(8-9-28-19)13-35-23-18(12-25)20(17(11-24)21(26)29-23)15-4-6-16(7-5-15)34-36(32,33)30(2)3/h4-10H,13H2,1-3H3,(H2,26,29)(H,27,31) XEHPYILEDAZGRI-UHFFFAOYSA-N 191818 US9187428, 46 Adenosine receptor A2a Homo sapiens 781 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68619417 317223056 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343442 CCCOc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ccnc(c2)C(=O)NC)c1C#N InChI=1S/C24H22N6O2S/c1-3-9-32-17-6-4-5-16(11-17)21-18(12-25)22(27)30-24(19(21)13-26)33-14-15-7-8-29-20(10-15)23(31)28-2/h4-8,10-11H,3,9,14H2,1-2H3,(H2,27,30)(H,28,31) URQAZXHQWHGMEP-UHFFFAOYSA-N 191821 US9187428, 49 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68611206 317223057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343443 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(c3)C(F)(F)F)c2C#N)ccn1 InChI=1S/C22H14F4N6OS/c1-30-20(33)17-6-11(4-5-31-17)10-34-21-14(9-28)18(13(8-27)19(29)32-21)12-2-3-16(23)15(7-12)22(24,25)26/h2-7H,10H2,1H3,(H2,29,32)(H,30,33) OELVMHHCDQEDBA-UHFFFAOYSA-N 191822 US9187428, 50 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191822&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592177 317223058 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343444 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cc(F)cc(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-4-11(2-3-28-17)10-31-21-16(9-25)18(15(8-24)19(26)29-21)12-5-13(22)7-14(23)6-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) GAXJRISCTLYMFU-UHFFFAOYSA-N 191823 US9187428, 51 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191823&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68612245 317223059 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343445 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C21H14F2N6OS/c1-27-20(30)17-6-11(4-5-28-17)10-31-21-14(9-25)18(13(8-24)19(26)29-21)12-2-3-15(22)16(23)7-12/h2-7H,10H2,1H3,(H2,26,29)(H,27,30) FANKFIQCLPRMTG-UHFFFAOYSA-N 191776 US9187428, 4::US9187428, 53 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592011 317223038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343446 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCN)cc3)c2C#N)ccn1 InChI=1S/C23H21N7O2S/c1-28-22(31)19-10-14(6-8-29-19)13-33-23-18(12-26)20(17(11-25)21(27)30-23)15-2-4-16(5-3-15)32-9-7-24/h2-6,8,10H,7,9,13,24H2,1H3,(H2,27,30)(H,28,31) DDUQXIITCCDRIF-UHFFFAOYSA-N 191826 US9187428, 54 Adenosine receptor A2a Homo sapiens 114 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191826&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56593480 317223060 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343447 CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OCCNC(=O)[C@H](C)N)cc3)c2C#N)ccn1 InChI=1S/C26H26N8O3S/c1-15(29)24(35)33-9-10-37-18-5-3-17(4-6-18)22-19(12-27)23(30)34-26(20(22)13-28)38-14-16-7-8-32-21(11-16)25(36)31-2/h3-8,11,15H,9-10,14,29H2,1-2H3,(H2,30,34)(H,31,36)(H,33,35)/t15-/m0/s1 FAOCUWOLHBKWBE-HNNXBMFYSA-N 191827 US9187428, 55 Adenosine receptor A2a Homo sapiens 402 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191827&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66633974 317223061 C03803 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343448 CNC(=O)c1cc(ccn1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCC(F)(F)F)cc2)c1C#N InChI=1S/C24H19F3N6O2S/c1-13(15-7-8-32-19(9-15)22(34)31-2)36-23-18(11-29)20(17(10-28)21(30)33-23)14-3-5-16(6-4-14)35-12-24(25,26)27/h3-9,13H,12H2,1-2H3,(H2,30,33)(H,31,34) SDZLWPSMPSPGFW-UHFFFAOYSA-N 191828 US9187428, 56 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191828&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592178 317223062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343449 CC(Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N)c1cccc(c1)C(N)=O InChI=1S/C24H21N5O3S/c1-14(16-3-2-4-17(11-16)23(28)31)33-24-20(13-26)21(19(12-25)22(27)29-24)15-5-7-18(8-6-15)32-10-9-30/h2-8,11,14,30H,9-10H2,1H3,(H2,27,29)(H2,28,31) PRQHDJVUYYXVOP-UHFFFAOYSA-N 191832 US9187428, 60 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191832&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631434 317223063 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343450 CNC(=O)c1cccc(c1)C(C)Sc1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N InChI=1S/C25H23N5O3S/c1-15(17-4-3-5-18(12-17)24(32)29-2)34-25-21(14-27)22(20(13-26)23(28)30-25)16-6-8-19(9-7-16)33-11-10-31/h3-9,12,15,31H,10-11H2,1-2H3,(H2,28,30)(H,29,32) XLMBXOODCDVPFM-UHFFFAOYSA-N 191834 US9187428, 62 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191834&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592092 317223064 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343451 NC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26) DYSMRUPLJIKSNE-UHFFFAOYSA-N 191837 US9187428, 65 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191837&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631868 317223065 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343452 OCCNC(=O)c1cccc(CSc2ncc(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C23H18N4O2S/c24-12-19-14-27-23(20(13-25)21(19)17-6-2-1-3-7-17)30-15-16-5-4-8-18(11-16)22(29)26-9-10-28/h1-8,11,14,28H,9-10,15H2,(H,26,29) RYNDARWSEZMFCR-UHFFFAOYSA-N 191838 US9187428, 66 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191838&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592179 317223066 C04080 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343453 Nc1nc(OCc2ccnc(c2)C(=O)NC2CC2)c(C#N)c(-c2ccccc2)c1C#N InChI=1S/C23H18N6O2/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30) WKAHMRMVDYWVPB-UHFFFAOYSA-N 191840 US9187428, 68 Adenosine receptor A2a Homo sapiens 1740 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68612168 317223067 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343454 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H20N6O2S/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32) TVKRXMKEVFIJGJ-UHFFFAOYSA-N 191842 US9187428, 70 Adenosine receptor A2a Homo sapiens 272 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191842&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56592181 317223068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343455 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C25H22N6O3S/c1-28-24(33)21-9-15(7-8-29-21)14-35-25-20(11-27)22(16-3-5-18(34-2)6-4-16)19(10-26)23(30-25)31-12-17(32)13-31/h3-9,17,32H,12-14H2,1-2H3,(H,28,33) KOXCLHXGKIISLS-UHFFFAOYSA-N 191844 US9187428, 72 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191844&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68614769 317223069 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343456 CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(F)c(F)c3)c2C#N)ccn1 InChI=1S/C24H18F2N6O2S/c1-29-23(34)20-6-13(4-5-30-20)12-35-24-17(9-28)21(14-2-3-18(25)19(26)7-14)16(8-27)22(31-24)32-10-15(33)11-32/h2-7,15,33H,10-12H2,1H3,(H,29,34) XTHDMKNADLTFBY-UHFFFAOYSA-N 191846 US9187428, 74 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191846&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68611912 317223070 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343457 CNC(=O)c1cc(CSc2nc(N(C)CCO)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H22N6O2S/c1-27-23(32)20-12-16(8-9-28-20)15-33-24-19(14-26)21(17-6-4-3-5-7-17)18(13-25)22(29-24)30(2)10-11-31/h3-9,12,31H,10-11,15H2,1-2H3,(H,27,32) CUTIHBIGUWEKQJ-UHFFFAOYSA-N 191847 US9187428, 75 Adenosine receptor A2a Homo sapiens 1010 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631260 317223071 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343458 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OCCO)nc3)c2C#N)ccn1 InChI=1S/C24H23N7O4S/c1-27-23(34)19-10-15(4-5-28-19)14-36-24-18(12-26)21(17(11-25)22(31-24)29-6-7-32)16-2-3-20(30-13-16)35-9-8-33/h2-5,10,13,32-33H,6-9,14H2,1H3,(H,27,34)(H,29,31) MPNXBQZUKWRSLD-UHFFFAOYSA-N 191850 US9187428, 78 Adenosine receptor A2a Homo sapiens 355 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191850&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68617624 317223072 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343459 CNC(=O)c1cc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc4OCCOc4c3)c2C#N)ccn1 InChI=1S/C27H24N6O4S/c1-30-26(35)21-10-16(4-6-31-21)15-38-27-20(13-29)24(17-2-3-22-23(11-17)37-9-8-36-22)19(12-28)25(32-27)33-7-5-18(34)14-33/h2-4,6,10-11,18,34H,5,7-9,14-15H2,1H3,(H,30,35)/t18-/m1/s1 IJSYWXYIWQUFBT-GOSISDBHSA-N 191854 US9187428, 82 Adenosine receptor A2a Homo sapiens 1980 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191854&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68605677 317223073 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343460 CNC(=O)c1cc(CSc2nc(NC[C@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H22N6O3S/c1-27-23(33)20-9-15(7-8-28-20)14-34-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(30-24)29-12-17(32)13-31/h2-9,17,31-32H,12-14H2,1H3,(H,27,33)(H,29,30)/t17-/m0/s1 UGHXOTLFXUPIFS-KRWDZBQOSA-N 191855 US9187428, 83 Adenosine receptor A2a Homo sapiens 2180 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191855&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68613195 317223074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343461 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 InChI=1S/C24H22N6O3S/c1-27-23(32)20-11-15(7-8-28-20)14-34-24-19(13-26)21(16-3-5-17(33-2)6-4-16)18(12-25)22(30-24)29-9-10-31/h3-8,11,31H,9-10,14H2,1-2H3,(H,27,32)(H,29,30) FKGGVWWJVXWSTL-UHFFFAOYSA-N 191856 US9187428, 84 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191856&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68611797 317223075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343462 O=C(NC1CC1)c1cc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C27H24N6OS/c28-15-21-24(19-6-2-1-3-7-19)22(16-29)27(32-25(21)33-12-4-5-13-33)35-17-18-10-11-30-23(14-18)26(34)31-20-8-9-20/h1-3,6-7,10-11,14,20H,4-5,8-9,12-13,17H2,(H,31,34) TXZYEFSLJQNQOK-UHFFFAOYSA-N 191857 US9187428, 85 Adenosine receptor A2a Homo sapiens 1020 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191857&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68602402 317223076 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343463 CNC(=O)c1cc(CSc2nc(NCC(O)C(F)(F)F)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H19F3N6O2S/c1-30-22(35)18-9-14(7-8-31-18)13-36-23-17(11-29)20(15-5-3-2-4-6-15)16(10-28)21(33-23)32-12-19(34)24(25,26)27/h2-9,19,34H,12-13H2,1H3,(H,30,35)(H,32,33) XRIAXFSXESCCIJ-UHFFFAOYSA-N 191859 US9187428, 87 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191859&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68600557 317223077 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343464 CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccccn3)c2C#N)ccn1 InChI=1S/C22H19N7O2S/c1-25-21(31)18-10-14(5-7-27-18)13-32-22-16(12-24)19(17-4-2-3-6-26-17)15(11-23)20(29-22)28-8-9-30/h2-7,10,30H,8-9,13H2,1H3,(H,25,31)(H,28,29) AYWPFTKLLZHBJC-UHFFFAOYSA-N 191860 US9187428, 88 Adenosine receptor A2a Homo sapiens 1980 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68597882 317223078 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343465 CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1 InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32) RIKWPWBAAMITPO-UHFFFAOYSA-N 191865 US9187428, 93 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191865&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631651 317223079 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343466 CNC(=O)c1cccc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1 InChI=1S/C28H27N5O4S/c1-31-27(36)20-4-2-3-18(13-20)17-38-28-24(15-30)25(19-5-7-22(8-6-19)37-12-11-34)23(14-29)26(32-28)33-10-9-21(35)16-33/h2-8,13,21,34-35H,9-12,16-17H2,1H3,(H,31,36)/t21-/m1/s1 GGYIOAQCIRVUSI-OAQYLSRUSA-N 191866 US9187428, 94 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191866&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631463 317223080 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343467 Nc1nc(SCc2cccc(c2)C(=O)NC[C@@H](O)CO)c(C#N)c(-c2ccc(F)cc2)c1C#N InChI=1S/C24H20FN5O3S/c25-17-6-4-15(5-7-17)21-19(9-26)22(28)30-24(20(21)10-27)34-13-14-2-1-3-16(8-14)23(33)29-11-18(32)12-31/h1-8,18,31-32H,11-13H2,(H2,28,30)(H,29,33)/t18-/m1/s1 JPFRNQVVUWGFLY-GOSISDBHSA-N 191868 US9187428, 96 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191868&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 68602346 317223081 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343468 CCNC(=O)c1cccc(CSc2nc(N3CCCC3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1 InChI=1S/C29H29N5O3S/c1-2-32-28(36)22-7-5-6-20(16-22)19-38-29-25(18-31)26(21-8-10-23(11-9-21)37-15-14-35)24(17-30)27(33-29)34-12-3-4-13-34/h5-11,16,35H,2-4,12-15,19H2,1H3,(H,32,36) AFDZAPUKPRXNJZ-UHFFFAOYSA-N 191870 US9187428, 98 Adenosine receptor A2a Homo sapiens 1540 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191870&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631991 317223082 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343469 NC(=O)c1cccc(CSc2nc(NC[C@@H](O)CO)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C24H21N5O3S/c25-10-19-21(16-6-2-1-3-7-16)20(11-26)24(29-23(19)28-12-18(31)13-30)33-14-15-5-4-8-17(9-15)22(27)32/h1-9,18,30-31H,12-14H2,(H2,27,32)(H,28,29)/t18-/m1/s1 NXTIBIHGJTZXGE-GOSISDBHSA-N 191871 US9187428, 99 Adenosine receptor A2a Homo sapiens 3000 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191871&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66631775 317223083 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 343470 NCCNC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1 InChI=1S/C23H20N6OS/c24-9-10-28-22(30)17-8-4-5-15(11-17)14-31-23-19(13-26)20(16-6-2-1-3-7-16)18(12-25)21(27)29-23/h1-8,11H,9-10,14,24H2,(H2,27,29)(H,28,30) VPILLSACNTZHIJ-UHFFFAOYSA-N 191873 US9187428, 101 Adenosine receptor A2a Homo sapiens 440 7.4 37.00 C US Patent 10.7270/Q29Z93Q4 aid1801884 US9187428 Vakalopoulos, A; Meibom, D; Nell, P; Sussmeier, F; Albrecht-Kupper, B; Zimmermann, K; Keldenich, J; Schneider, D; Krenz, U Bayer Intellectual Property GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66633776 317223084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341643 Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C11H12ClN5O2/c12-10-15-8(13)6-9(16-10)17(3-14-6)11-1-4(11)7(19)5(18)2-11/h3-5,7,18-19H,1-2H2,(H2,13,15,16)/t4-,5-,7+,11-/m0/s1 FPUWZABNVPWCTR-CCCMEWHLSA-N 191067 US9181253, 107 Adenosine receptor A2a Homo sapiens 3140 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191067&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494163 316936319 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341644 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C14H16ClN5O2/c15-13-18-11(17-6-1-2-6)9-12(19-13)20(5-16-9)14-3-7(14)10(22)8(21)4-14/h5-8,10,21-22H,1-4H2,(H,17,18,19)/t7-,8-,10+,14-/m0/s1 CEIXIMCVWLWYRD-AGZVQKLTSA-N 191045 US9181253, 108 Adenosine receptor A2a Homo sapiens 3700 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191045&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494145 316936300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341645 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 InChI=1S/C15H18ClN5O2/c16-14-19-12(18-7-2-1-3-7)10-13(20-14)21(6-17-10)15-4-8(15)11(23)9(22)5-15/h6-9,11,22-23H,1-5H2,(H,18,19,20)/t8-,9-,11+,15-/m0/s1 CUKGATIWMXMKCG-WKGDZTOBSA-N 191046 US9181253, 109 Adenosine receptor A2a Homo sapiens 3020 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191046 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191046&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494146 316936301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341646 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 InChI=1S/C17H22ClN5O2/c18-16-21-14(20-9-4-2-1-3-5-9)12-15(22-16)23(8-19-12)17-6-10(17)13(25)11(24)7-17/h8-11,13,24-25H,1-7H2,(H,20,21,22)/t10-,11-,13+,17-/m0/s1 FBEAKVULROEXMT-ORMQQPANSA-N 191050 US9181253, 110 Adenosine receptor A2a Homo sapiens 2720 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191050&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494147 316936302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341647 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 InChI=1S/C18H24ClN5O2/c19-17-22-15(21-10-5-3-1-2-4-6-10)13-16(23-17)24(9-20-13)18-7-11(18)14(26)12(25)8-18/h9-12,14,25-26H,1-8H2,(H,21,22,23)/t11-,12-,14+,18-/m0/s1 OFGOSNGPCLQGJG-LFPKGMGHSA-N 191051 US9181253, 111 Adenosine receptor A2a Homo sapiens 3930 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191051&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494148 316936303 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341648 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1 CXBQRTGJJCJHGX-DOROLRBCSA-N 191053 US9181253, 113 Adenosine receptor A2a Homo sapiens 2450 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494150 316936305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341649 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-11-4-8-1-2-9(11)3-8)13-16(23-17)24(7-20-13)18-5-10(18)14(26)12(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t8?,9?,10-,11?,12-,14+,18-/m0/s1 CXBQRTGJJCJHGX-DOROLRBCSA-N 191054 US9181253, 114 Adenosine receptor A2a Homo sapiens 4080 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494150 316936306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341650 CCC(CC)Nc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C16H22ClN5O2/c1-3-8(4-2)19-13-11-14(21-15(17)20-13)22(7-18-11)16-5-9(16)12(24)10(23)6-16/h7-10,12,23-24H,3-6H2,1-2H3,(H,19,20,21)/t9-,10-,12+,16-/m0/s1 AYMVFKSATLYCPH-XQDRIVNHSA-N 191056 US9181253, 118 Adenosine receptor A2a Homo sapiens 3700 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191056&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494152 316936308 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341651 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN5O2/c16-14-19-12(17-5-7-1-2-7)10-13(20-14)21(6-18-10)15-3-8(15)11(23)9(22)4-15/h6-9,11,22-23H,1-5H2,(H,17,19,20)/t8-,9-,11+,15-/m0/s1 VDWGKCZTRLYCCA-WKGDZTOBSA-N 191057 US9181253, 119 Adenosine receptor A2a Homo sapiens 4410 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191057&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494153 316936309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341652 O[C@H]1C[C@]2(C[C@H]2[C@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 InChI=1S/C18H22ClN5O2/c19-17-22-15(21-12(8-1-2-8)9-3-4-9)13-16(23-17)24(7-20-13)18-5-10(18)14(26)11(25)6-18/h7-12,14,25-26H,1-6H2,(H,21,22,23)/t10-,11-,14+,18-/m0/s1 WNEOEKVCVVPLCJ-ZZUUJNIESA-N 191059 US9181253, 121 Adenosine receptor A2a Homo sapiens 3950 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191059&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494155 316936311 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 341653 OCc1cc(F)c(F)cc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2 InChI=1S/C19H18ClF2N5O3/c20-18-25-16(23-5-8-1-11(21)12(22)2-9(8)6-28)14-17(26-18)27(7-24-14)19-3-10(19)15(30)13(29)4-19/h1-2,7,10,13,15,28-30H,3-6H2,(H,23,25,26)/t10-,13-,15+,19-/m0/s1 FCXFKNMITJNUQK-QUPAPELASA-N 191066 US9181253, 128 Adenosine receptor A2a Homo sapiens 7510 7.5 25.00 C US Patent 10.7270/Q2CV4GJ4 aid1801858 US9181253 Jacobson, KA; Tosh, DK The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=191066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=191066&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 121494162 316936318 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351651 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 337 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351652 CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16) JADDQZYHOWSFJD-UHFFFAOYSA-N 86761 CAS_35920-39-9::NECA::NSC_448222 Adenosine receptor A2a Homo sapiens 16 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86761&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 2868392 136352810 ZINC04499047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351653 CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25) IPSYPUKKXMNCNQ-UHFFFAOYSA-N 198126 (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide::Cl-IBMECA Adenosine receptor A2a Homo sapiens 401 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198126&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 393593 318489199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351654 CCCOc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C14H17N3OS/c1-2-8-18-13-9-12(15)16-14(17-13)19-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H2,15,16,17) XZZJWUQBDNSKFM-UHFFFAOYSA-N 198127 4-amino-6-alkyloxy-2-benzylthiopyrimidines (4) Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198127&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24823756 318489200 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351655 CC(C)COc1cc(N)nc(SCc2ccccc2)n1 InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18) OIJKJZPCNCXNCF-UHFFFAOYSA-N 198128 4-amino-6-alkyloxy-2-benzylthiopyrimidines (5) Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 90681265 318489201 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 351656 Nc1cc(OCc2ccccc2)nc(SCc2ccccc2)n1 InChI=1S/C18H17N3OS/c19-16-11-17(22-12-14-7-3-1-4-8-14)21-18(20-16)23-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20,21) JSOVQNMMVJUMMZ-UHFFFAOYSA-N 198129 4-amino-6-alkyloxy-2-benzylthiopyrimidines (6) Adenosine receptor A2a Homo sapiens >10000 7.4 25.00 C Curated from the literature by BindingDB 10.1111/cbdd.12801 10.7270/Q25M64JG 27282729 aid1802052 Cosimelli, B; Greco, G; Laneri, S; Novellino, E; Sacchi, A; Trincavelli, ML; Giacomelli, C; Taliani, S; Da Settimo, F; Martini, C Università di Napoli Federico II http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=198129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=198129&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 90681267 318489202 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 356201 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1 NVUDDRWKCUAERS-PNHWDRBUSA-N 50060165 (2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::1-DEAZA-ADENOSINE::Adenosine receptor agonist, 5::CHEMBL115824 Adenosine receptor A2a Homo sapiens 645 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060165&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1DA 1ADD,5LMZ,7XTO 159738 103955929 CHEMBL115824 ZINC03814313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 356202 Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 200213 Adenosine receptor agonist, 9 Adenosine receptor A2a Homo sapiens 495 Curated from the literature by BindingDB 10.1021/acschembio.6b00357 10.7270/Q2S75F5P 27439119 aid1802102 Rodríguez, D; Chakraborty, S; Warnick, E; Crane, S; Gao, ZG; O'Connor, R; Jacobson, KA; Carlsson, J Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=200213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=200213&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45045221 318590038 C08432 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362965 Cn1cc2c(n1)nc(NNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C32H21N9O6S/c1-40-14-22-27(38-40)35-31(41-29(22)34-28(39-41)23-3-2-10-46-23)36-37-32(48)33-15-4-7-18(21(11-15)30(44)45)26-19-8-5-16(42)12-24(19)47-25-13-17(43)6-9-20(25)26/h2-14,42H,1H3,(H,44,45)(H2,33,37,48)(H,35,36,38)/p-1 WNVCMUJTUUNZEO-UHFFFAOYSA-M 204853 US9227979, 1 Adenosine receptor A2a Homo sapiens 920 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204853&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612075 374884189 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362968 Cn1cc2c(n1)nc(NCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C35H27N9O6S/c1-43-17-25-30(41-43)40-34(44-32(25)39-31(42-44)26-4-2-13-49-26)36-11-3-12-37-35(51)38-18-5-8-21(24(14-18)33(47)48)29-22-9-6-19(45)15-27(22)50-28-16-20(46)7-10-23(28)29/h2,4-10,13-17,45H,3,11-12H2,1H3,(H,47,48)(H,36,40,41)(H2,37,38,51)/p-1 OYUGPDTWADCFAD-UHFFFAOYSA-M 204854 US9227979, 2 Adenosine receptor A2a Homo sapiens 2480 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204854&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123131613 321900702 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362971 Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C36H29N9O6S/c1-44-18-26-31(42-44)41-35(45-33(26)40-32(43-45)27-5-4-14-50-27)37-12-2-3-13-38-36(52)39-19-6-9-22(25(15-19)34(48)49)30-23-10-7-20(46)16-28(23)51-29-17-21(47)8-11-24(29)30/h4-11,14-18,46H,2-3,12-13H2,1H3,(H,48,49)(H,37,41,42)(H2,38,39,52)/p-1 LCOCYLSQCMDGHJ-UHFFFAOYSA-M 204855 US9227979, 3 Adenosine receptor A2a Homo sapiens 460 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204855&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123131615 321900703 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362974 Cn1cc2c(n1)nc(NCCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C37H31N9O6S/c1-45-19-27-32(43-45)42-36(46-34(27)41-33(44-46)28-6-5-15-51-28)38-13-3-2-4-14-39-37(53)40-20-7-10-23(26(16-20)35(49)50)31-24-11-8-21(47)17-29(24)52-30-18-22(48)9-12-25(30)31/h5-12,15-19,47H,2-4,13-14H2,1H3,(H,49,50)(H,38,42,43)(H2,39,40,53)/p-1 GJQZTOMIXVZSNR-UHFFFAOYSA-M 204856 US9227979, 4 Adenosine receptor A2a Homo sapiens 1750 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204856&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123131617 321900704 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362979 Cn1cc2c(n1)nc(NCCCOCCOOCCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(O)cc3oc3cc(=O)ccc13)n1nc(nc21)-c1ccco1 InChI=1S/C42H41N9O9S/c1-50-24-32-37(48-50)47-41(51-39(32)46-38(49-51)33-7-5-17-57-33)43-15-6-16-56-19-20-59-58-18-4-2-3-14-44-42(61)45-25-8-11-28(31(21-25)40(54)55)36-29-12-9-26(52)22-34(29)60-35-23-27(53)10-13-30(35)36/h5,7-13,17,21-24,52H,2-4,6,14-16,18-20H2,1H3,(H,54,55)(H,43,47,48)(H2,44,45,61)/p-1 NRZLTNQUDGJDTN-UHFFFAOYSA-M 204858 US9227979, 6 Adenosine receptor A2a Homo sapiens 6010 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204858&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123131621 321900706 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362981 Nc1nc2cccc(Cl)c2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-1-4-8-10(7)12-17-11(9-5-2-6-20-9)18-19(12)13(15)16-8/h1-6H,(H2,15,16) LTHNIAHTIWLCEM-UHFFFAOYSA-N 204859 US9227979, 7 Adenosine receptor A2a Homo sapiens 1.2 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204859&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 89463312 374884190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362984 Clc1cccc2nc(NC(=O)CCCC#C)n3nc(nc3c12)-c1ccco1 InChI=1S/C19H14ClN5O2/c1-2-3-4-10-15(26)22-19-21-13-8-5-7-12(20)16(13)18-23-17(24-25(18)19)14-9-6-11-27-14/h1,5-9,11H,3-4,10H2,(H,21,22,26) UBFZMKZYXVCALG-UHFFFAOYSA-N 204860 US9227979, 8 Adenosine receptor A2a Homo sapiens 51 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134133670 374884191 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362987 Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCCn3cc(CCCC(=O)Nc4nc5ccc(Cl)cc5c5nc(nn45)-c4ccco4)nn3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O InChI=1S/C46H40ClN11O12S2/c47-25-11-17-34-31(22-25)43-53-42(35-8-6-20-69-35)55-58(43)46(51-34)52-36(59)9-5-7-26-23-57(56-54-26)19-4-2-1-3-18-50-44(60)24-10-12-27(30(21-24)45(61)62)37-28-13-15-32(48)40(71(63,64)65)38(28)70-39-29(37)14-16-33(49)41(39)72(66,67)68/h6,8,10-17,20-23,48H,1-5,7,9,18-19,49H2,(H,50,60)(H,61,62)(H,51,52,59)(H,63,64,65)(H,66,67,68)/p-2 OWAPJDQJQMNRHK-UHFFFAOYSA-L 204861 MRS5449::US9227979, 9 Adenosine receptor A2a Homo sapiens 73 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204861&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612076 374884192 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362990 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(O)=O)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H16N8O4/c1-27-10-13-16(25-27)23-19(28-18(13)22-17(26-28)14-3-2-8-32-14)24-20(31)21-12-6-4-11(5-7-12)9-15(29)30/h2-8,10H,9H2,1H3,(H,29,30)(H2,21,23,24,25,31) QOVZGPDUOLJANP-UHFFFAOYSA-N 204862 EA2/MRS5811::US9227979, 11 Adenosine receptor A2a Homo sapiens 1010 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204862&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 89701157 374884193 C03768 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362991 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C28H31N9O5/c1-28(2,3)42-22(39)8-5-13-29-21(38)15-17-9-11-18(12-10-17)30-27(40)33-26-32-23-19(16-36(4)34-23)25-31-24(35-37(25)26)20-7-6-14-41-20/h6-7,9-12,14,16H,5,8,13,15H2,1-4H3,(H,29,38)(H2,30,32,33,34,40) OIQIWYIQBQXEQV-UHFFFAOYSA-N 204863 EA12/MRS5821::US9227979, 12 Adenosine receptor A2a Homo sapiens 150 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204863&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134151252 374884194 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362992 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C29H33N9O5/c1-29(2,3)43-23(40)9-5-6-14-30-22(39)16-18-10-12-19(13-11-18)31-28(41)34-27-33-24-20(17-37(4)35-24)26-32-25(36-38(26)27)21-8-7-15-42-21/h7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3,(H,30,39)(H2,31,33,34,35,41) HTWBMJJZSWDXTM-UHFFFAOYSA-N 204864 EA15/MRS5824::US9227979, 13 Adenosine receptor A2a Homo sapiens 304 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204864&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134132827 374884195 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362993 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C30H35N9O5/c1-30(2,3)44-24(41)10-6-5-7-15-31-23(40)17-19-11-13-20(14-12-19)32-29(42)35-28-34-25-21(18-38(4)36-25)27-33-26(37-39(27)28)22-9-8-16-43-22/h8-9,11-14,16,18H,5-7,10,15,17H2,1-4H3,(H,31,40)(H2,32,34,35,36,42) RLGJQPKKUSHIJZ-UHFFFAOYSA-N 204865 EA6/MRS5815::US9227979, 14 Adenosine receptor A2a Homo sapiens 376 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204865&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134151288 374884196 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362994 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCOOCCCCC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C31H37N9O7/c1-31(2,3)47-25(42)9-5-6-16-45-46-17-14-32-24(41)18-20-10-12-21(13-11-20)33-30(43)36-29-35-26-22(19-39(4)37-26)28-34-27(38-40(28)29)23-8-7-15-44-23/h7-8,10-13,15,19H,5-6,9,14,16-18H2,1-4H3,(H,32,41)(H2,33,35,36,37,43) FBANBNAFWMJAME-UHFFFAOYSA-N 204866 EA3/MRS5812::US9227979, 15 Adenosine receptor A2a Homo sapiens 456 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204866&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134132496 374884197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362995 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCOCCOOCCCCCNC(=O)OC(C)(C)C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C35H46N10O8/c1-35(2,3)53-34(48)37-15-6-5-7-19-51-52-21-20-49-17-9-16-36-28(46)22-24-11-13-25(14-12-24)38-33(47)41-32-40-29-26(23-44(4)42-29)31-39-30(43-45(31)32)27-10-8-18-50-27/h8,10-14,18,23H,5-7,9,15-17,19-22H2,1-4H3,(H,36,46)(H,37,48)(H2,38,40,41,42,47) QJONFWQCTLVVDI-UHFFFAOYSA-N 204867 EA9/MRS5818::US9227979, 16 Adenosine receptor A2a Homo sapiens 327 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204867&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134157535 374884198 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362996 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H24N10O3/c1-32-13-16-19(30-32)28-22(33-21(16)27-20(31-33)17-4-2-11-36-17)29-23(35)26-15-7-5-14(6-8-15)12-18(34)25-10-3-9-24/h2,4-8,11,13H,3,9-10,12,24H2,1H3,(H,25,34)(H2,26,28,29,30,35)/p+1 FFNNUALNYZSPNX-UHFFFAOYSA-O 204874 EA13/MRS5822::US9227979, 17 Adenosine receptor A2a Homo sapiens 175 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204874&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612072 374884185 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362997 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H26N10O3/c1-33-14-17-20(31-33)29-23(34-22(17)28-21(32-34)18-5-4-12-37-18)30-24(36)27-16-8-6-15(7-9-16)13-19(35)26-11-3-2-10-25/h4-9,12,14H,2-3,10-11,13,25H2,1H3,(H,26,35)(H2,27,29,30,31,36)/p+1 ZFLXFYPGXCIWRG-UHFFFAOYSA-O 204869 EA16/MRS5825::US9227979, 18 Adenosine receptor A2a Homo sapiens 172 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204869&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612078 374884200 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362998 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 InChI=1S/C25H28N10O3/c1-34-15-18-21(32-34)30-24(35-23(18)29-22(33-35)19-6-5-13-38-19)31-25(37)28-17-9-7-16(8-10-17)14-20(36)27-12-4-2-3-11-26/h5-10,13,15H,2-4,11-12,14,26H2,1H3,(H,27,36)(H2,28,30,31,32,37)/p+1 BKRMHMBQECVLAH-UHFFFAOYSA-O 204870 EA7/MRS5816::US9227979, 19 Adenosine receptor A2a Homo sapiens 203 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204870&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612079 374884201 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 362999 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCOOCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 InChI=1S/C26H30N10O5/c1-35-16-19-22(33-35)31-25(36-24(19)30-23(34-36)20-5-4-12-39-20)32-26(38)29-18-8-6-17(7-9-18)15-21(37)28-11-14-41-40-13-3-2-10-27/h4-9,12,16H,2-3,10-11,13-15,27H2,1H3,(H,28,37)(H2,29,31,32,33,38)/p+1 JYDYPNMDJSWYTQ-UHFFFAOYSA-O 204871 EA4/MRS5813::US9227979, 20 Adenosine receptor A2a Homo sapiens 267 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204871&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612080 374884202 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363000 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCOCCOOCCCCC[NH3+])cc1)n1nc(nc21)-c1ccco1 InChI=1S/C30H38N10O6/c1-39-20-23-26(37-39)35-29(40-28(23)34-27(38-40)24-7-5-15-44-24)36-30(42)33-22-10-8-21(9-11-22)19-25(41)32-13-6-14-43-17-18-46-45-16-4-2-3-12-31/h5,7-11,15,20H,2-4,6,12-14,16-19,31H2,1H3,(H,32,41)(H2,33,35,36,37,42)/p+1 XYJFBOLPYWWSPF-UHFFFAOYSA-O 204872 EA10/MRS5819::US9227979, 21 Adenosine receptor A2a Homo sapiens 328 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204872&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612081 374884203 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363001 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C44H35N11O8S/c1-54-22-32-38(52-54)50-42(55-40(32)49-39(53-55)33-4-2-17-62-33)51-43(61)47-24-7-5-23(6-8-24)18-36(58)45-15-3-16-46-44(64)48-25-9-12-28(31(19-25)41(59)60)37-29-13-10-26(56)20-34(29)63-35-21-27(57)11-14-30(35)37/h2,4-14,17,19-22,56H,3,15-16,18H2,1H3,(H,45,58)(H,59,60)(H2,46,48,64)(H2,47,50,51,52,61)/p-1 WYVNZDSJKJKNIB-UHFFFAOYSA-M 204873 EA14/MRS5823::US9227979, 22 Adenosine receptor A2a Homo sapiens 110 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612074 374884188 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363002 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C45H37N11O8S/c1-55-23-33-39(53-55)51-43(56-41(33)50-40(54-56)34-5-4-18-63-34)52-44(62)48-25-8-6-24(7-9-25)19-37(59)46-16-2-3-17-47-45(65)49-26-10-13-29(32(20-26)42(60)61)38-30-14-11-27(57)21-35(30)64-36-22-28(58)12-15-31(36)38/h4-15,18,20-23,57H,2-3,16-17,19H2,1H3,(H,46,59)(H,60,61)(H2,47,49,65)(H2,48,51,52,53,62)/p-1 BUBAUPAIHHUCIV-UHFFFAOYSA-M 204868 EA17/MRS5826::US9227979, 23 Adenosine receptor A2a Homo sapiens 60.4 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204868&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612077 374884199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363003 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C46H39N11O8S/c1-56-24-34-40(54-56)52-44(57-42(34)51-41(55-57)35-6-5-19-64-35)53-45(63)49-26-9-7-25(8-10-26)20-38(60)47-17-3-2-4-18-48-46(66)50-27-11-14-30(33(21-27)43(61)62)39-31-15-12-28(58)22-36(31)65-37-23-29(59)13-16-32(37)39/h5-16,19,21-24,58H,2-4,17-18,20H2,1H3,(H,47,60)(H,61,62)(H2,48,50,66)(H2,49,52,53,54,63)/p-1 RXXLYTXIIWCHLH-UHFFFAOYSA-M 204875 EA8/MRS5817::US9227979, 24 Adenosine receptor A2a Homo sapiens 106 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204875&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612082 374884204 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363004 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCOOCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C47H41N11O10S/c1-57-25-35-41(55-57)53-45(58-43(35)52-42(56-58)36-5-4-18-65-36)54-46(64)50-27-8-6-26(7-9-27)21-39(61)48-17-20-67-66-19-3-2-16-49-47(69)51-28-10-13-31(34(22-28)44(62)63)40-32-14-11-29(59)23-37(32)68-38-24-30(60)12-15-33(38)40/h4-15,18,22-25,59H,2-3,16-17,19-21H2,1H3,(H,48,61)(H,62,63)(H2,49,51,69)(H2,50,53,54,55,64)/p-1 YZODOEYKVKCETQ-UHFFFAOYSA-M 204876 EA5/MRS5814::US9227979, 25 Adenosine receptor A2a Homo sapiens 95.7 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204876&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612073 374884186 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363005 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(CC(=O)NCCCOCCOOCCCCCNC(=S)Nc3ccc(c(c3)C([O-])=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C51H49N11O11S/c1-61-29-39-45(59-61)57-49(62-47(39)56-46(60-62)40-7-5-21-70-40)58-50(68)54-31-10-8-30(9-11-31)25-43(65)52-19-6-20-69-23-24-72-71-22-4-2-3-18-53-51(74)55-32-12-15-35(38(26-32)48(66)67)44-36-16-13-33(63)27-41(36)73-42-28-34(64)14-17-37(42)44/h5,7-17,21,26-29,63H,2-4,6,18-20,22-25H2,1H3,(H,52,65)(H,66,67)(H2,53,55,74)(H2,54,57,58,59,68)/p-1 XSEMWNLQDNVZEV-UHFFFAOYSA-M 204877 EA11/MRS5820::US9227979, 26 Adenosine receptor A2a Homo sapiens 91.5 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204877&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134612083 374884205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363006 Cn1cc2c(n1)nc(NC(=O)CCC#C)n1nc(nc21)-c1ccco1 InChI=1S/C16H13N7O2/c1-3-4-7-12(24)17-16-19-13-10(9-22(2)20-13)15-18-14(21-23(15)16)11-6-5-8-25-11/h1,5-6,8-9H,4,7H2,2H3,(H,17,19,20,24) RKYLNOINWNNTQG-UHFFFAOYSA-N 204878 EA19(5-pent-4-ynamide)/MRS5811::US9227979, 36 Adenosine receptor A2a Homo sapiens 133 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204878&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 134155693 374884187 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363007 Cn1cc2c(n1)nc(NC(=O)CCCC#C)n1nc(nc21)-c1ccco1 InChI=1S/C17H15N7O2/c1-3-4-5-8-13(25)18-17-20-14-11(10-23(2)21-14)16-19-15(22-24(16)17)12-7-6-9-26-12/h1,6-7,9-10H,4-5,8H2,2H3,(H,18,20,21,25) FUMIWYQFHWMBFT-UHFFFAOYSA-N 204879 MRS5846/5762 5-hex-5-ynamide::US9227979, 37 Adenosine receptor A2a Homo sapiens 199 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204879&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 89700960 374884206 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363008 Cn1cc2c(n1)nc(NC(=O)CCCCC#C)n1nc(nc21)-c1ccco1 InChI=1S/C18H17N7O2/c1-3-4-5-6-9-14(26)19-18-21-15-12(11-24(2)22-15)17-20-16(23-25(17)18)13-8-7-10-27-13/h1,7-8,10-11H,4-6,9H2,2H3,(H,19,21,22,26) QCDXAQOOYGGZCE-UHFFFAOYSA-N 204880 EA18(5-hept-6-ynamide)/MRS5838::US9227979, 38 Adenosine receptor A2a Homo sapiens 151 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204880&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 89701152 374884207 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 363009 Cn1cc2c(n1)nc(NC(=O)CCCCCC#C)n1nc(nc21)-c1ccco1 InChI=1S/C19H19N7O2/c1-3-4-5-6-7-10-15(27)20-19-22-16-13(12-25(2)23-16)18-21-17(24-26(18)19)14-9-8-11-28-14/h1,8-9,11-12H,4-7,10H2,2H3,(H,20,22,23,27) FLBJZDPCFSBABT-UHFFFAOYSA-N 204881 EA20(5-oct-7-ynamide)/MRS5840::US9227979, 39 Adenosine receptor A2a Homo sapiens 482 US Patent 10.7270/Q2JD4VMN aid1802192 US9227979 Jacobson, KA; Thatikonda, SK; Kozma, EE; Spalluto, G; Moro, S; Federico, S The United States of America, as represented by the Secretary, Department of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=204881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=204881&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 89701143 374884208 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 392454 C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1 InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) VUYDJBYOJKYWBY-UHFFFAOYSA-N 224617 US9326978, 30 Adenosine receptor A2a Homo sapiens 3150 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224617&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10426659 336291962 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 392455 Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) FHLIAQGQHFKJLO-UHFFFAOYSA-N 224618 US9326978, 31 Adenosine receptor A2a Homo sapiens 5220 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11530256 336291963 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 392456 COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) YJOOJLDFTONSNI-UHFFFAOYSA-N 224619 US9326978, 32 Adenosine receptor A2a Homo sapiens >10000 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224619&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11602914 336291964 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 392457 Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) SYNRBWNXNMPXNT-UHFFFAOYSA-N 224620 US9326978, 33::US9326978, 49 Adenosine receptor A2a Homo sapiens >10000 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224620&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11553016 336291965 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 392458 Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1 InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) ULXQEAQZAZBLPR-UHFFFAOYSA-N 224621 US9326978, 34 Adenosine receptor A2a Homo sapiens >10000 7.4 US Patent 10.7270/Q2C24V85 aid1802714 US9326978 Goblyos, A; Brussee, J; Ijzerman, AP; Gao, Z; Jacobson, K The United States of America, Represented by the Secretary, Dept. of Health and Human Services http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=224621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=224621&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11639150 336291966 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002391 CCCn1c2ncn(CC)c2c(=O)[nH]c1=O InChI=1S/C10H14N4O2/c1-3-5-14-8-7(9(15)12-10(14)16)13(4-2)6-11-8/h6H,3-5H2,1-2H3,(H,12,15,16) BYOGTVLYVWFFPC-UHFFFAOYSA-N 50001492 7-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL337001 Adenosine receptor A2a Homo sapiens 8300.0 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001492&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10376254 103915957 CHEMBL337001 ZINC12405451 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002395 CCCn1c(=O)n(C)c2nc[nH]c2c1=O InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11) UEGOAAXVUJWIHJ-UHFFFAOYSA-N 50001489 3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL112369 Adenosine receptor A2a Homo sapiens 9600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001489&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 174907 103915954 CHEMBL112369 ZINC00014162 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002396 CCCCn1c(=O)n(C)c2nc[nH]c2c1=O InChI=1S/C10H14N4O2/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12) GDRIWEXJHHARCU-UHFFFAOYSA-N 50001494 1-Butyl-3-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL130503 Adenosine receptor A2a Homo sapiens 7600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001494&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12905389 103915959 CHEMBL130503 ZINC01537141 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002400 CCCCn1c(=O)[nH]c2nc[nH]c2c1=O InChI=1S/C9H12N4O2/c1-2-3-4-13-8(14)6-7(11-5-10-6)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,15) HZPVRRDNEDXPAJ-UHFFFAOYSA-N 50001498 1-Butyl-3,7-dihydro-purine-2,6-dione::CHEMBL68278 Adenosine receptor A2a Homo sapiens 43400 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001498&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14969715 103915963 CHEMBL68278 ZINC12405445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002403 CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3 QVAYTZAGDQIWMB-UHFFFAOYSA-N 50001500 7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL278332 Adenosine receptor A2a Homo sapiens 600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001500&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 161713 103915965 CHEMBL278332 ZINC02516057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002406 CCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 InChI=1S/C12H18N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h8H,4-7H2,1-3H3 HERBEZMVPIUPHT-UHFFFAOYSA-N 50001499 1-Methyl-3,7-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL282310 Adenosine receptor A2a Homo sapiens 5000 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001499&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10377425 103915964 CHEMBL282310 ZINC12405454 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002407 CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3 LNKWJWFCKHPEGK-UHFFFAOYSA-N 50001501 7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL131275 Adenosine receptor A2a Homo sapiens 3100 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001501&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10400587 103915966 CHEMBL131275 ZINC01893708 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002408 CCCn1c2ncn(C)c2c(=O)n(CC)c1=O InChI=1S/C11H16N4O2/c1-4-6-15-9-8(13(3)7-12-9)10(16)14(5-2)11(15)17/h7H,4-6H2,1-3H3 ICKASWYQERJTJJ-UHFFFAOYSA-N 50001503 1-Ethyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL132052 Adenosine receptor A2a Homo sapiens 7600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001503&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10037104 103915968 CHEMBL132052 ZINC00014163 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002416 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A2a Homo sapiens 7200 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002417 CCCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C9H12N4O2/c1-2-3-4-13-7-6(10-5-11-7)8(14)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,14,15) RDIDOICNEQWODO-UHFFFAOYSA-N 50001491 3-Butyl-3,7-dihydro-purine-2,6-dione::CHEMBL334849 Adenosine receptor A2a Homo sapiens 8300.0 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001491&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 218667 103915956 CHEMBL334849 ZINC01536772 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002420 CCCn1c2nc[nH]c2c(=O)n(CCC)c1=O InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13) MJVIGUCNSRXAFO-UHFFFAOYSA-N 82032 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione::1,3-Dipropylxanthine::CAS_169317::CHEMBL157655::CPX::NSC_169317 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 169317 131342606 CHEMBL157655 427 ZINC04654890 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002424 CCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12 InChI=1S/C11H16N4O2/c1-3-5-14-7-12-9-8(14)10(16)13-11(17)15(9)6-4-2/h7H,3-6H2,1-2H3,(H,13,16,17) PAFAWJVFVCLETB-UHFFFAOYSA-N 50001507 3,7-Dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL128900 Adenosine receptor A2a Homo sapiens 15500 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001507&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15931313 103915970 CHEMBL128900 ZINC12405453 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002425 CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O InChI=1S/C13H20N4O2/c1-4-6-8-17-12(18)10-11(14-9-15(10)3)16(7-5-2)13(17)19/h9H,4-8H2,1-3H3 QNRUTBJYFDXJDA-UHFFFAOYSA-N 50001512 1-Butyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL132001 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001512 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001512&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10378132 103915975 CHEMBL132001 ZINC12405450 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002427 CCn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C8H10N4O2/c1-3-12-6-5(9-4-10-6)7(13)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10) JUZUUEGSTBASHX-UHFFFAOYSA-N 50001510 3-Ethyl-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL334813 Adenosine receptor A2a Homo sapiens 4700 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001510 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001510&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15931309 103915973 CHEMBL334813 ZINC12405447 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002429 CCCCn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12) KYWKJKVQLGANBH-UHFFFAOYSA-N 50001511 3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL130969 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001511 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001511&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 169316 103915974 CHEMBL130969 ZINC03782910 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002430 CCCCn1cnc2n(CCC)c(=O)[nH]c(=O)c12 InChI=1S/C12H18N4O2/c1-3-5-7-15-8-13-10-9(15)11(17)14-12(18)16(10)6-4-2/h8H,3-7H2,1-2H3,(H,14,17,18) PBEKWDMOYATOCP-UHFFFAOYSA-N 50001508 7-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL131164 Adenosine receptor A2a Homo sapiens 13800 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001508 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001508&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3636010 103915971 CHEMBL131164 ZINC01537140 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002431 CCCn1c2nc[nH]c2c(=O)n(CC)c1=O InChI=1S/C10H14N4O2/c1-3-5-14-8-7(11-6-12-8)9(15)13(4-2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12) UUNPXVUWXYVOOY-UHFFFAOYSA-N 50001513 1-Ethyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL28194 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001513 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001513&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15646970 103915976 CHEMBL28194 ZINC00014105 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002432 CCCn1c(=O)[nH]c2nc[nH]c2c1=O InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14) IWBONKMODGBEOX-UHFFFAOYSA-N 50001490 1-Propyl-3,7-dihydro-purine-2,6-dione::CHEMBL39986 Adenosine receptor A2a Homo sapiens 62000 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001490&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 128525 103915955 CHEMBL39986 ZINC05114727 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002433 CCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13) OTUCSVCIIQRSNG-UHFFFAOYSA-N 50001502 3-Ethyl-3,7-dihydro-purine-2,6-dione::CHEMBL131181 Adenosine receptor A2a Homo sapiens 69200 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001502&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 350737 103915967 CHEMBL131181 ZINC12405446 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002438 Cn1c(=O)[nH]c2nc[nH]c2c1=O InChI=1S/C6H4N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3 SNXCZWZKBPOLIM-UHFFFAOYSA-N 82020 1-Methyl-3,9-dihydro-purine-2,6-dione(1-methyl xanthine)::1-Methylxanthine::CAS_80220::CHEMBL1250::NSC_80220 Adenosine receptor A2a Homo sapiens 75900.0 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 80220 131342594 68444 CHEMBL1250 C16358 ZINC13517144 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002439 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 28200 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002442 CCCn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11) MCPROACZLSAAPY-UHFFFAOYSA-N 50001509 1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL286976 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001509&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 86344 103915972 CHEMBL286976 ZINC04770328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002461 CCCn1c2ncn(CC)c2c(=O)n(C)c1=O InChI=1S/C11H16N4O2/c1-4-6-15-9-8(14(5-2)7-12-9)10(16)13(3)11(15)17/h7H,4-6H2,1-3H3 MBUIHYBKDMAGEF-UHFFFAOYSA-N 50001496 7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL283412 Adenosine receptor A2a Homo sapiens 5900 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001496&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10243194 103915961 CHEMBL283412 ZINC12405452 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002470 CCn1c(=O)n(C)c2nc[nH]c2c1=O InChI=1S/C8H10N4O2/c1-3-12-7(13)5-6(10-4-9-5)11(2)8(12)14/h4H,3H2,1-2H3,(H,9,10) KVSRUALMCYFLEP-UHFFFAOYSA-N 50001514 1-Ethyl-3-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL24107 Adenosine receptor A2a Homo sapiens 15200 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001514 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001514&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12905388 103915977 CHEMBL24107 ZINC00014161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002476 CCCn1c2ncn(C)c2c(=O)[nH]c1=O InChI=1S/C9H12N4O2/c1-3-4-13-7-6(12(2)5-10-7)8(14)11-9(13)15/h5H,3-4H2,1-2H3,(H,11,14,15) OGKDPZZJCZFVKH-UHFFFAOYSA-N 50001506 7-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL131371 Adenosine receptor A2a Homo sapiens 27500 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001506 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001506&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10330676 103915969 CHEMBL131371 ZINC12405448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002477 Cn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N 50001515 1-Methylxanthine (1-Mx)::3-Methyl-3,7-dihydro-purine-2,6-dione::3-Methyl-3,9-dihydro-purine-2,6-dione(3-methyl xanthine)::CHEMBL619 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001515&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 70639 103915978 62208 CHEMBL619 C16357 ZINC04685854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002478 CCCn1c2ncn(C)c2c(=O)n(C)c1=O InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3 DHYGGYFMXYRIGJ-UHFFFAOYSA-N 50001497 1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL417654 Adenosine receptor A2a Homo sapiens 10600 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001497&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 343627 103915962 CHEMBL417654 ZINC12405449 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002482 O=c1[nH]c2nc[nH]c2c(=O)[nH]1 InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) LRFVTYWOQMYALW-UHFFFAOYSA-N 82009 CAS_1188::CHEMBL1424::NSC_1188::Xanthine Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82009&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1188 131342583 48517 CHEMBL1424 DB02134 4557 C00385 ZINC13517187 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002488 CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14) AXDZQZQUNHYUGL-UHFFFAOYSA-N 50001516 1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL446679 Adenosine receptor A2a Homo sapiens 30 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001516&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10198863 103915979 CHEMBL446679 ZINC04806216 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50002491 CCn1c(=O)[nH]c2nc[nH]c2c1=O InChI=1S/C7H8N4O2/c1-2-11-6(12)4-5(9-3-8-4)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,13) KKWIVMCCCHOXGV-UHFFFAOYSA-N 50001517 1-Ethyl-3,7-dihydro-purine-2,6-dione::CHEMBL127167 Adenosine receptor A2a Homo sapiens 96200.0 ChEMBL 10.1021/jm00100a008 10.7270/Q2CF9P23 1331453 Sakai, R; Konno, K; Yamamoto, Y; Sanae, F; Takagi, K; Hasegawa, T; Iwasaki, N; Kakiuchi, M; Kato, H; Miyamoto, K Hokuriku University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001517&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15931307 103915980 CHEMBL127167 ZINC12405444 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009926 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A2a Homo sapiens 2060 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009928 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A2a Homo sapiens 962 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009933 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A2a Homo sapiens 604 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009934 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 261 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140474 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A2a Homo sapiens 215 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140477 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A2a Homo sapiens 754 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140480 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A2a Homo sapiens 1136 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140484 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A2a Homo sapiens 2010 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140493 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A2a Homo sapiens 3405 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140495 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A2a Homo sapiens 1618 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140498 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A2a Homo sapiens 1711 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140501 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A2a Homo sapiens 48 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140507 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A2a Homo sapiens 48 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140512 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 70 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009907 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 261 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009908 Cc1[nH]c2nc(nc(N[C@H]3CC[C@H](O)CC3)c2c1C)-c1ccccc1 InChI=1S/C20H24N4O/c1-12-13(2)21-19-17(12)20(22-15-8-10-16(25)11-9-15)24-18(23-19)14-6-4-3-5-7-14/h3-7,15-16,25H,8-11H2,1-2H3,(H2,21,22,23,24)/t15-,16- HLFGYAZPYDYTFN-WKILWMFISA-N 50080292 4-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-cyclohexanol::CHEMBL78595 Adenosine receptor A2a Homo sapiens 1540 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080292&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9949650 103980463 CHEMBL78595 ZINC26485835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009913 Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1 AWPURNFXMIKEIM-OAHLLOKOSA-N 50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503 Adenosine receptor A2a Homo sapiens 2108 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317916 103980460 CHEMBL312503 ZINC26477357 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009916 Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24) KQKYOWHVYGWBHO-UHFFFAOYSA-N 50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197 Adenosine receptor A2a Homo sapiens 725 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080287&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317578 103980458 CHEMBL82197 ZINC26490609 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009919 CC(C)C[C@@H](CO)Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C20H26N4O/c1-12(2)10-16(11-25)22-20-17-13(3)14(4)21-19(17)23-18(24-20)15-8-6-5-7-9-15/h5-9,12,16,25H,10-11H2,1-4H3,(H2,21,22,23,24)/t16-/m0/s1 GSMWUWXMHHXWOW-INIZCTEOSA-N 50080286 (S)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-methyl-pentan-1-ol::CHEMBL78659 Adenosine receptor A2a Homo sapiens 2684 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080286&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317558 103980457 CHEMBL78659 ZINC26483282 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009927 CC(=O)NCCNc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1 InChI=1S/C18H21N5O/c1-11-12(2)21-18-15(11)17(20-10-9-19-13(3)24)22-16(23-18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,23) RHBHHAJRAODTML-UHFFFAOYSA-N 50080288 CHEMBL81616::N-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-acetamide Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080288&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901760 103980459 CHEMBL81616 ZINC26491448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50009932 Cc1[nH]c2nc(nc(NCc3ccncc3)c2c1C)-c1ccccc1 InChI=1S/C20H19N5/c1-13-14(2)23-20-17(13)19(22-12-15-8-10-21-11-9-15)24-18(25-20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,22,23,24,25) GSAIXPLBVQLLNN-UHFFFAOYSA-N 50080291 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyridin-4-ylmethyl-amine::CHEMBL81863 Adenosine receptor A2a Homo sapiens 811 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080291&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317576 103980462 CHEMBL81863 ZINC26491451 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50584937 COc1ccc2-c3nc(N)sc3CCc2c1 InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H WVBJVQQYYLULNU-UHFFFAOYSA-N 50451381 CHEMBL38779 Adenosine receptor A2a Homo sapiens 0.000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10021401 225145354 CHEMBL38779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50584938 CC(=O)Oc1ccc2-c3nc(N)sc3CCc2c1 InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H RZVHNWFWKMVRSL-UHFFFAOYSA-N 50451378 CHEMBL39106 Adenosine receptor A2a Homo sapiens 0.000 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451378&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10200261 225145351 CHEMBL39106 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50016458 CC(=O)Oc1cccc-2c1Cc1sc(N)nc-21 InChI=1S/C12H10N2O2S.HI/c1-6(15)16-9-4-2-3-7-8(9)5-10-11(7)14-12(13)17-10;/h2-4H,5H2,1H3,(H2,13,14);1H OYFWSJUVLXBPKC-UHFFFAOYSA-N 50451380 CHEMBL39388 Adenosine receptor A2a Homo sapiens 15848932 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451380&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9976651 225145353 CHEMBL39388 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50016463 COc1cc2Cc3sc(N)nc3-c2cc1OC InChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H WIUKUZIKTRGASW-UHFFFAOYSA-N 50451379 CHEMBL43299 Adenosine receptor A2a Homo sapiens 0.001 ChEMBL 10.1016/s0960-894x(02)00236-6 10.7270/Q2833RBV 12039562 Chordia, MD; Murphree, LJ; Macdonald, TL; Linden, J; Olsson, RA University of Virginia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50451379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50451379&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10292899 225145352 CHEMBL43299 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50017821 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A2a Homo sapiens 1269000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50026354 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19) CLIGSMOZKDCDRZ-UHFFFAOYSA-N 82025 1,3-Dipropyl-8-phenylxanthine::8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CAS_128784::CHEMBL158507::NSC_128784 Adenosine receptor A2a Homo sapiens 2100 ChEMBL 10.1021/jm00126a014 10.7270/Q2PZ57T1 2724296 Shamim, MT; Ukena, D; Padgett, WL; Daly, JW National Institutes of Health http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 128784 131342599 CHEMBL158507 ZINC03995438 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50026649 COc1cccc(c1)-c1nnc(Cc2ccc(Cl)c(Cl)c2)[nH]1 InChI=1S/C16H13Cl2N3O/c1-22-12-4-2-3-11(9-12)16-19-15(20-21-16)8-10-5-6-13(17)14(18)7-10/h2-7,9H,8H2,1H3,(H,19,20,21) VFUNSXKJIWHFNE-UHFFFAOYSA-N 50139727 3-(3,4-Dichloro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::5-(3,4-Dichloro-benzyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL354321 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139727&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379809 104029559 CHEMBL354321 ZINC13589625 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50029849 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C27H28N4O4/c1-3-13-31-23-15-22(28-25(23)26(33)29(2)27(31)34)19-8-10-21(11-9-19)35-17-24(32)30-14-12-18-6-4-5-7-20(18)16-30/h4-11,15,28H,3,12-14,16-17H2,1-2H3 TVYGQOAGWHNVNS-UHFFFAOYSA-N 50003210 CHEMBL408185 Adenosine receptor A2a Homo sapiens 208 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450828 103917190 CHEMBL408185 ZINC27208011 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047710 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 22 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047711 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 5.2 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047712 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 22 5.5 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047713 CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O InChI=1S/C18H18O3S2/c1-2-21-17(20)16-13-9-6-10-14(19)15(13)18(23-16)22-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3 HHGLCIVVJISXCA-UHFFFAOYSA-N 50048454 3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester::CHEMBL87496 Adenosine receptor A2a Homo sapiens 54300 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048454&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 2778810 103978918 CHEMBL87496 ZINC00125868 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047714 CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O InChI=1S/C18H18O3S2/c1-2-21-17(20)16-13-9-6-10-14(19)15(13)18(23-16)22-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3 HHGLCIVVJISXCA-UHFFFAOYSA-N 50048454 3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester::CHEMBL87496 Adenosine receptor A2a Homo sapiens 106000 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048454&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 2778810 103978918 CHEMBL87496 ZINC00125868 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047715 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1 BUHVIAUBTBOHAG-FOYDDCNASA-N 50452520 CHEMBL2094089::N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylpheny1)ethyl]adenosine (3, DPMA) Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452520&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10391971 225145703 CHEMBL2094089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047718 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A2a Homo sapiens 7.9 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047719 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047666 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 7.6 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047669 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047673 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 7.6 6.8 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047676 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 74 7.5 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047677 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A2a Homo sapiens 370 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047685 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 226 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047686 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 4.3 5.5 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047687 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3 OSUCQKNXQBPLDG-UHFFFAOYSA-N 50336640 (nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::Adalat::Adalat CC::Afeditab cr::BAY-A-1040::NIFEDIPINE::Nefidipine::Procardia::Procardia XL::dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Adenosine receptor A2a Homo sapiens 22200 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336640&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 54167661 125086742 7565 2514 ZINC85205448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047690 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047693 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.14 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047695 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H VCCRNZQBSJXYJD-UHFFFAOYSA-N 50049391 3,5,7-Trihydroxyflavone::3,5,7-triOH-flavone::3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one::3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one::CHEMBL309490::Galangin::Galangin (15)::Galangin (Gal)::cid_5281616::norizalpinin Adenosine receptor A2a Homo sapiens 18100 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049391&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search KMC 8A0O 5281616 103979745 5262 CHEMBL309490 410 C10044 ZINC00120273 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047696 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1 BUHVIAUBTBOHAG-FOYDDCNASA-N 50452520 CHEMBL2094089::N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylpheny1)ethyl]adenosine (3, DPMA) Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452520&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10391971 225145703 CHEMBL2094089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047697 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 12 7.5 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047698 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) XSDQTOBWRPYKKA-UHFFFAOYSA-N 16173 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride::3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide::Amiloride::Amipramidin::CHEMBL945 Adenosine receptor A2a Homo sapiens 3280 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search AMR 4NTX,1F5L 16231 46516430 2639 CHEMBL945 2421 C06821 ZINC04340269 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047699 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) XSDQTOBWRPYKKA-UHFFFAOYSA-N 16173 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride::3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide::Amiloride::Amipramidin::CHEMBL945 Adenosine receptor A2a Homo sapiens 12000 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search AMR 4NTX,1F5L 16231 46516430 2639 CHEMBL945 2421 C06821 ZINC04340269 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047700 COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1C InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1 BUHVIAUBTBOHAG-FOYDDCNASA-N 50452520 CHEMBL2094089::N6-[2-(3,5-dimethoxyphenyl)-2-(2-methylpheny1)ethyl]adenosine (3, DPMA) Adenosine receptor A2a Homo sapiens 19 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452520&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10391971 225145703 CHEMBL2094089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047701 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 99 8.4 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047702 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H VCCRNZQBSJXYJD-UHFFFAOYSA-N 50049391 3,5,7-Trihydroxyflavone::3,5,7-triOH-flavone::3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one::3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one::CHEMBL309490::Galangin::Galangin (15)::Galangin (Gal)::cid_5281616::norizalpinin Adenosine receptor A2a Homo sapiens 33000 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049391&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search KMC 8A0O 5281616 103979745 5262 CHEMBL309490 410 C10044 ZINC00120273 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047703 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A2a Homo sapiens 143 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047704 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 291 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047705 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3 OSUCQKNXQBPLDG-UHFFFAOYSA-N 50336640 (nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::Adalat::Adalat CC::Afeditab cr::BAY-A-1040::NIFEDIPINE::Nefidipine::Procardia::Procardia XL::dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Adenosine receptor A2a Homo sapiens 22200 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336640&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 54167661 125086742 7565 2514 ZINC85205448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047707 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.46 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50047709 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 36 6.8 ChEMBL 10.1021/jm970084v 10.7270/Q27M08MC 9258366 Jiang, Q; Lee, BX; Glashofer, M; van Rhee, AM; Jacobson, KA NIDDK http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052163 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1 FZQBZRYTXUBBLO-AXYPVASZSA-N 50162479 5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-3-methyl-tetrahydro-furan-3,4-diol::CHEMBL444550 Adenosine receptor A2a Homo sapiens 935 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50162479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50162479&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10767601 104048645 CHEMBL444550 ZINC13610758 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052165 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C16H23N5O4/c1-16(24)12(23)10(6-22)25-15(16)21-8-19-11-13(17-7-18-14(11)21)20-9-4-2-3-5-9/h7-10,12,15,22-24H,2-6H2,1H3,(H,17,18,20)/t10-,12-,15-,16-/m1/s1 BVOLJUDYJILMMW-QTDMDRALSA-N 50224775 (2R,3R,4R,5R)-2-(6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol::CHEMBL400189 Adenosine receptor A2a Homo sapiens 7220 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50224775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50224775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9946338 104096350 CHEMBL400189 ZINC13472701 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052166 C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O InChI=1S/C20H25N5O4/c1-12(8-13-6-4-3-5-7-13)24-17-15-18(22-10-21-17)25(11-23-15)19-20(2,28)16(27)14(9-26)29-19/h3-7,10-12,14,16,19,26-28H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,19-,20-/m1/s1 WJCRFGFGOJNWSD-NHOKMAFPSA-N 50408411 CHEMBL2113388 Adenosine receptor A2a Homo sapiens 7440 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50408411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50408411&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10620944 163357435 CHEMBL2113388 ZINC13472702 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052168 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 BIXYYZIIJIXVFW-UUOKFMHZSA-N 50009525 2-CI Adenosine::2-Chloroadenosine::2-Chloroado::2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL285819 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009525&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 8974 103922536 CHEMBL285819 ZINC26576183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052169 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](C)(O)[C@@H]1O InChI=1S/C13H18N6O4/c1-3-15-11(21)7-8(20)13(2,22)12(23-7)19-5-18-6-9(14)16-4-17-10(6)19/h4-5,7-8,12,20,22H,3H2,1-2H3,(H,15,21)(H2,14,16,17)/t7-,8+,12+,13+/m0/s1 FAGCJFVAXVJDMA-XDPNNTCOSA-N 50408412 CHEMBL2113418 Adenosine receptor A2a Homo sapiens 218 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50408412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50408412&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10567830 163357436 CHEMBL2113418 ZINC13610762 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052171 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 TWLWIJNPUVZDOB-LSCFUAHRSA-N 50088422 (2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL66393 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10254700 103987337 CHEMBL66393 ZINC03985921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052175 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12 InChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11-/m1/s1 PASOFFRBGIVJET-YRKGHMEHSA-N 50144948 (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol::(2R,3R,4R,5R)-5-Hydroxymethyl-3-methyl-2-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol::2'-C-methyladenosine::2'-methyl-adenosine::2-C-methyl adenosine::CHEMBL73809::beta-2'-Methyladenosine Adenosine receptor A2a Homo sapiens 3420 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50144948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50144948&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 500900 104033935 CHEMBL73809 ZINC13472700 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052179 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1 MMPAUXMIDJWGFO-ROMFRFKVSA-N 50224770 (2R,3R,4R,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol::CHEMBL251997 Adenosine receptor A2a Homo sapiens 3.9 ChEMBL 10.1021/jm9707737 10.7270/Q2ZW1MKQ 9572897 Franchetti, P; Cappellacci, L; Marchetti, S; Trincavelli, L; Martini, C; Mazzoni, MR; Lucacchini, A; Grifantini, M Universit£ di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50224770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50224770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10475082 104096345 CHEMBL251997 ZINC07992852 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052503 Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O3/c20-19-23-17-12(18-22-16(24-26(18)19)15-4-2-8-29-15)10-21-25(17)7-1-3-11-5-6-13(27)14(28)9-11/h2,4-6,8-10,27-28H,1,3,7H2,(H2,20,23) LCNBVQXGZHCINL-UHFFFAOYSA-N 50064697 4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzene-1,2-diol::CHEMBL63520 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10572535 103959679 CHEMBL63520 ZINC13554858 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052504 Nc1nc2n(CCCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C26H23N7O2/c27-26-30-24-21(25-29-23(31-33(25)26)22-9-5-15-34-22)16-28-32(24)14-4-8-18-10-12-20(13-11-18)35-17-19-6-2-1-3-7-19/h1-3,5-7,9-13,15-16H,4,8,14,17H2,(H2,27,30) PMGPSJCSRZTJFV-UHFFFAOYSA-N 50064698 7-[3-(4-Benzyloxy-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL423852 Adenosine receptor A2a Homo sapiens 300 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064698&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10528161 103959680 CHEMBL423852 ZINC13554853 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052505 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25) YWQKIVSBEVCNDE-UHFFFAOYSA-N 50064702 7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(3,4-Dimethoxy-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL69794 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064702&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10645750 103959684 CHEMBL69794 ZINC13554846 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052571 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052572 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052574 Nc1nc2n(Cc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C17H13N7O2/c18-17-21-15-12(8-19-23(15)9-10-3-5-11(25)6-4-10)16-20-14(22-24(16)17)13-2-1-7-26-13/h1-8,25H,9H2,(H2,18,21) NCUYJDMFUAXBHH-UHFFFAOYSA-N 50064701 4-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-ylmethyl)-phenol::CHEMBL416684 Adenosine receptor A2a Homo sapiens 149 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064701&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10831497 103959683 CHEMBL416684 ZINC00022160 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052575 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23) XMXGGIWSFRIOKL-UHFFFAOYSA-N 50051241 2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 63390)::CHEMBL17121::SCH-63390 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051241&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9798914 103948239 CHEMBL17121 ZINC12405956 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052576 Nc1nc2n(Cc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C24H19N7O2/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-12-32-20)13-26-30(22)14-16-8-10-18(11-9-16)33-15-17-5-2-1-3-6-17/h1-13H,14-15H2,(H2,25,28) ALPXBFYOHXHXPE-UHFFFAOYSA-N 50064699 7-(4-Benzyloxy-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL66811 Adenosine receptor A2a Homo sapiens 500 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10812872 103959681 CHEMBL66811 ZINC13554849 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052577 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24) ULSNKDYWRFKLBP-UHFFFAOYSA-N 50064696 7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-(3-Benzo[1,3]dioxol-5-yl-propyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL307748 Adenosine receptor A2a Homo sapiens 8 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10668865 103959678 CHEMBL307748 ZINC13554842 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052578 Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C25H21N7O2/c26-25-29-23-20(24-28-22(30-32(24)25)21-7-4-14-33-21)15-27-31(23)13-12-17-8-10-19(11-9-17)34-16-18-5-2-1-3-6-18/h1-11,14-15H,12-13,16H2,(H2,26,29) WUDQVVRYXALCCP-UHFFFAOYSA-N 50064694 7-[2-(4-Benzyloxy-phenyl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL67134 Adenosine receptor A2a Homo sapiens 90 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064694&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10766011 103959676 CHEMBL67134 ZINC13554852 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052580 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23) AXDUXMMFIPBLRQ-UHFFFAOYSA-N 50064700 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenol::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenol::CHEMBL67026 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064700&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10362099 103959682 CHEMBL67026 ZINC00841354 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50052581 Nc1nc2n(CCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O2/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-27-14)10-20-24(16)8-7-11-3-5-12(26)6-4-11/h1-6,9-10,26H,7-8H2,(H2,19,22) HTBACUGZYGOBQR-UHFFFAOYSA-N 50064695 4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenol::CHEMBL67994 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10689930 103959677 CHEMBL67994 ZINC13554855 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063380 Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(13-12-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3 MDVBUPVGQLDJLI-UHFFFAOYSA-N 50040047 1-Cyclopentyl-4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100909 Adenosine receptor A2a Homo sapiens 292000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040047&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10444746 103972110 CHEMBL100909 ZINC12405676 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063381 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 340 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063382 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1 InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)17-21(18-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3 PQVUCZDOKIHEBD-UHFFFAOYSA-N 50040048 2-Cyclohexyl-4,6-dipropyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL323074 Adenosine receptor A2a Homo sapiens 21700 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040048&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10448644 103972111 CHEMBL323074 ZINC12405686 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063385 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1 InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)13-17(14-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 FLUZYBBUHNOTFX-UHFFFAOYSA-N 50040050 2-Cyclohexyl-4,6-dimethyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100389 Adenosine receptor A2a Homo sapiens 250000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040050&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10106813 103972113 CHEMBL100389 ZINC12405677 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063388 CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)20(17-16-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3 AMSHQIJWLNTKFM-UHFFFAOYSA-N 50040052 1-Cyclopentyl-4,6-dipropyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100346 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040052&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10447827 103972115 CHEMBL100346 ZINC12405685 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063392 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 25000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063393 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1 InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)12-16(13-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3 OWAOIUIZMPUSFT-UHFFFAOYSA-N 50040055 2-Cyclopentyl-4,6-dimethyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL101525 Adenosine receptor A2a Homo sapiens 58000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040055&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10264070 103972118 CHEMBL101525 ZINC12405675 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063395 CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O InChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)21(18-17-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3 BGADFHJEBWKORI-UHFFFAOYSA-N 50040051 1-(2-Hydroxy-cyclohexyl)-4,6-dipropyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100440 Adenosine receptor A2a Homo sapiens 13500 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040051&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44331997 103972114 CHEMBL100440 ZINC26749755 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063396 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A2a Homo sapiens 48000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063398 Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O InChI=1S/C12H11ClN6O2/c1-17-10-9(11(20)18(2)12(17)21)19(16-15-10)8-4-3-6(13)5-7(8)14/h3-5H,14H2,1-2H3 ZEOAJOMXAZQEIK-UHFFFAOYSA-N 50040049 1-(2-Amino-4-chloro-phenyl)-4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL328812 Adenosine receptor A2a Homo sapiens 46000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040049&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10425294 103972112 CHEMBL328812 ZINC12405682 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063404 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N InChI=1S/C16H19ClN6O2/c1-3-7-21-14-13(15(24)22(8-4-2)16(21)25)19-23(20-14)12-6-5-10(17)9-11(12)18/h5-6,9H,3-4,7-8,18H2,1-2H3 FDHCORIMUPQHSM-UHFFFAOYSA-N 50040054 2-(2-Amino-4-chloro-phenyl)-4,6-dipropyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100832 Adenosine receptor A2a Homo sapiens 28900 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10361312 103972117 CHEMBL100832 ZINC12405688 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063405 CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)16-20(17-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3 NNWLQONDBRIJRY-UHFFFAOYSA-N 50040060 2-Cyclopentyl-4,6-dipropyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100347 Adenosine receptor A2a Homo sapiens 13000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040060&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10086435 103972123 CHEMBL100347 ZINC12405684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063406 Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)17(14-13-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3 WUZWTVQBOWJMMQ-UHFFFAOYSA-N 50040058 1-Cyclohexyl-4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL319555 Adenosine receptor A2a Homo sapiens 8400 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040058&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10467925 103972121 CHEMBL319555 ZINC12405678 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063407 Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(15-14-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3 ZELJNLMGDXEHGG-UHFFFAOYSA-N 50040057 1-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL101391 Adenosine receptor A2a Homo sapiens 4500 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040057&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44331905 103972120 CHEMBL101391 ZINC26745124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063408 Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2 InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)14-18(15-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3 NSVHRFFIITVTLS-UHFFFAOYSA-N 50040053 2-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-2,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL319534 Adenosine receptor A2a Homo sapiens 49000 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44331907 103972116 CHEMBL319534 ZINC26743809 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063413 CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)21(18-17-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3 HBMUACFYFTVHNS-UHFFFAOYSA-N 50040056 1-Cyclohexyl-4,6-dipropyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL101554 Adenosine receptor A2a Homo sapiens 22900 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040056&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10381286 103972119 CHEMBL101554 ZINC12405687 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50063414 Cn1nc2n(C)c(=O)n(C)c(=O)c2n1 InChI=1S/C7H9N5O2/c1-10-5-4(8-12(3)9-5)6(13)11(2)7(10)14/h1-3H3 QENRIORRNMNJEU-UHFFFAOYSA-N 50040064 2,4,6-Trimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione::CHEMBL100810 Adenosine receptor A2a Homo sapiens 52800 ChEMBL 10.1021/jm00044a018 10.7270/Q23777ST 8071944 Franchetti, P; Messini, L; Cappellacci, L; Grifantini, M; Lucacchini, A; Martini, C; Senatore, G Università di Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50040064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50040064&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12687948 103972127 CHEMBL100810 ZINC12405692 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50065435 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5360 ChEMBL 10.1016/j.bmcl.2004.07.042 10.7270/Q2GB24TK 15341938 Jeong, LS; Kim, MJ; Kim, HO; Gao, ZG; Kim, SK; Jacobson, KA; Chun, MW Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070675 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2OC)cc1 InChI=1S/C30H34N4O5/c1-4-15-34-25-18-24(31-28(25)29(36)32(2)30(34)37)21-9-11-22(12-10-21)39-19-27(35)33-16-13-20(14-17-33)23-7-5-6-8-26(23)38-3/h5-12,18,20,31H,4,13-17,19H2,1-3H3 GLIFQVOPSIXKGO-UHFFFAOYSA-N 50003093 CHEMBL259151 Adenosine receptor A2a Homo sapiens 407 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003093&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450979 242056404 CHEMBL259151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070677 CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(C)cc1 InChI=1S/C28H31N5O4/c1-18-5-9-21(10-6-18)32-13-15-33(16-14-32)26(34)19(2)37-22-11-7-20(8-12-22)23-17-24-25(29-23)27(35)31(4)28(36)30(24)3/h5-12,17,19,29H,13-16H2,1-4H3 IUMNNJUDXBYJQN-UHFFFAOYSA-N 50375413 CHEMBL260692 Adenosine receptor A2a Homo sapiens 389 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375413&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451329 160854503 CHEMBL260692 ZINC29060204 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070679 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-6-8-20(9-7-17)36-16-23(33)32-12-10-31(11-13-32)19-5-3-4-18(27)14-19/h3-9,14-15,28H,10-13,16H2,1-2H3 KYHLKVDUCVJGPQ-UHFFFAOYSA-N 50375416 CHEMBL260693 Adenosine receptor A2a Homo sapiens 155 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451330 160854506 CHEMBL260693 ZINC29060213 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070681 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccc(OC)cc2)cc1 InChI=1S/C30H34N4O5/c1-4-15-34-26-18-25(31-28(26)29(36)32(2)30(34)37)22-7-11-24(12-8-22)39-19-27(35)33-16-13-21(14-17-33)20-5-9-23(38-3)10-6-20/h5-12,18,21,31H,4,13-17,19H2,1-3H3 DSWCYOLXLXYNKI-UHFFFAOYSA-N 50003229 CHEMBL429512 Adenosine receptor A2a Homo sapiens 398 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003229&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450955 103917209 CHEMBL429512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070685 COc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C26H26N4O5/c1-28-21-13-20(27-24(21)25(32)29(2)26(28)33)19-9-8-18(12-22(19)34-3)35-15-23(31)30-11-10-16-6-4-5-7-17(16)14-30/h4-9,12-13,27H,10-11,14-15H2,1-3H3 JQQMPNPMWAEDPY-UHFFFAOYSA-N 50003227 CHEMBL410066 Adenosine receptor A2a Homo sapiens 12023 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003227&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451224 103917207 CHEMBL410066 ZINC96178620 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070687 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)cc1 InChI=1S/C35H36N4O4/c1-3-20-39-30-23-29(36-32(30)33(41)37(2)34(39)42)25-14-16-28(17-15-25)43-24-31(40)38-21-18-35(19-22-38,26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,23,36H,3,18-22,24H2,1-2H3 NHADJLJUOVTRKS-UHFFFAOYSA-N 50375412 CHEMBL294223 Adenosine receptor A2a Homo sapiens 3548 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375412&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450982 160854502 CHEMBL294223 ZINC29058120 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070688 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(O)(CC2)c2ccc(Cl)cc2)cc1 InChI=1S/C27H27ClN4O5/c1-30-22-15-21(29-24(22)25(34)31(2)26(30)35)17-3-9-20(10-4-17)37-16-23(33)32-13-11-27(36,12-14-32)18-5-7-19(28)8-6-18/h3-10,15,29,36H,11-14,16H2,1-2H3 GNRRSCILMNXIJY-UHFFFAOYSA-N 50003209 CHEMBL259360 Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450981 103917189 CHEMBL259360 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070689 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3 GOZZQPGHJOJDJZ-UHFFFAOYSA-N 50241444 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::6-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl}-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL409514 Adenosine receptor A2a Homo sapiens 257 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241444&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450983 104098772 CHEMBL409514 ZINC29058129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070691 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C27H29N5O4/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)20-8-10-21(11-9-20)36-18-24(33)32-14-12-31(13-15-32)17-19-6-4-3-5-7-19/h3-11,16,28H,12-15,17-18H2,1-2H3 QSNFHZZBWASQIR-UHFFFAOYSA-N 50003084 CHEMBL259913 Adenosine receptor A2a Homo sapiens 1549 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003084&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451171 242056396 CHEMBL259913 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070692 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1 InChI=1S/C26H27N5O5/c1-28-22-15-21(27-24(22)25(34)29(2)26(28)35)17-3-9-20(10-4-17)36-16-23(33)31-13-11-30(12-14-31)18-5-7-19(32)8-6-18/h3-10,15,27,32H,11-14,16H2,1-2H3 SJGDZSBNMDQWIZ-UHFFFAOYSA-N 50003104 CHEMBL409725 Adenosine receptor A2a Homo sapiens 617 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003104&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451489 242056415 CHEMBL409725 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070693 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1 InChI=1S/C24H25N7O4/c1-28-19-14-18(27-21(19)22(33)29(2)24(28)34)16-4-6-17(7-5-16)35-15-20(32)30-10-12-31(13-11-30)23-25-8-3-9-26-23/h3-9,14,27H,10-13,15H2,1-2H3 OQBCAYIGBJHTLB-UHFFFAOYSA-N 50003102 CHEMBL263895 Adenosine receptor A2a Homo sapiens 417 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003102&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451491 242056413 CHEMBL263895 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070694 CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccccc1 InChI=1S/C27H29N5O4/c1-18(25(33)32-15-13-31(14-16-32)20-7-5-4-6-8-20)36-21-11-9-19(10-12-21)22-17-23-24(28-22)26(34)30(3)27(35)29(23)2/h4-12,17-18,28H,13-16H2,1-3H3 VXBBOGZPJCZHFS-UHFFFAOYSA-N 50003099 CHEMBL409726 Adenosine receptor A2a Homo sapiens 355 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451492 242056410 CHEMBL409726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070696 COc1cc(ccc1OCC(=O)N1CCN(CC1)c1ccccc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C27H29N5O5/c1-29-21-16-20(28-25(21)26(34)30(2)27(29)35)18-9-10-22(23(15-18)36-3)37-17-24(33)32-13-11-31(12-14-32)19-7-5-4-6-8-19/h4-10,15-16,28H,11-14,17H2,1-3H3 RYWZUEMEXXUQOG-UHFFFAOYSA-N 50003079 CHEMBL259912 Adenosine receptor A2a Homo sapiens 1445 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003079&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451169 242056391 CHEMBL259912 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070702 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2c(Cl)cncc2Cl)cc1 InChI=1S/C27H28Cl2N6O4/c1-3-8-35-22-13-21(31-24(22)26(37)32(2)27(35)38)17-4-6-18(7-5-17)39-16-23(36)33-9-11-34(12-10-33)25-19(28)14-30-15-20(25)29/h4-7,13-15,31H,3,8-12,16H2,1-2H3 RGSUVGOQHJBZIW-UHFFFAOYSA-N 50003097 CHEMBL258948 Adenosine receptor A2a Homo sapiens 646 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003097&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451123 242056408 CHEMBL258948 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070704 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C30H35N5O4/c1-5-15-35-25-20-24(31-26(25)27(36)32(4)29(35)38)21-11-13-23(14-12-21)39-30(2,3)28(37)34-18-16-33(17-19-34)22-9-7-6-8-10-22/h6-14,20,31H,5,15-19H2,1-4H3 GEXWFLCTMIFCHI-UHFFFAOYSA-N 50003096 CHEMBL428604 Adenosine receptor A2a Homo sapiens 562 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003096&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451126 242056407 CHEMBL428604 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070705 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C29H30F3N5O4/c1-3-12-37-24-17-23(33-26(24)27(39)34(2)28(37)40)19-4-10-22(11-5-19)41-18-25(38)36-15-13-35(14-16-36)21-8-6-20(7-9-21)29(30,31)32/h4-11,17,33H,3,12-16,18H2,1-2H3 PJWUUDRQACIYIH-UHFFFAOYSA-N 50375411 CHEMBL412112 Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375411&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451127 160854501 CHEMBL412112 ZINC29058879 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070708 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C28H31N5O4/c1-3-13-33-24-18-23(29-26(24)27(35)30(2)28(33)36)20-9-11-22(12-10-20)37-19-25(34)32-16-14-31(15-17-32)21-7-5-4-6-8-21/h4-12,18,29H,3,13-17,19H2,1-2H3 PQIRGDHHYVPGOT-UHFFFAOYSA-N 50003091 CHEMBL259056 Adenosine receptor A2a Homo sapiens 708 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451019 242056402 CHEMBL259056 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070710 CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(Br)cc1 InChI=1S/C27H28BrN5O4/c1-17(25(34)33-14-12-32(13-15-33)20-8-6-19(28)7-9-20)37-21-10-4-18(5-11-21)22-16-23-24(29-22)26(35)31(3)27(36)30(23)2/h4-11,16-17,29H,12-15H2,1-3H3 LAHZJSOACGPWCR-UHFFFAOYSA-N 50003105 CHEMBL261068 Adenosine receptor A2a Homo sapiens 269 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003105&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451269 242056416 CHEMBL261068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070713 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1 InChI=1S/C28H30ClN5O4/c1-3-12-34-27(36)26-24(31(2)28(34)37)17-22(30-26)19-8-10-20(11-9-19)38-18-25(35)33-15-13-32(14-16-33)23-7-5-4-6-21(23)29/h4-11,17,30H,3,12-16,18H2,1-2H3 MKWRTDUPKXOHRX-UHFFFAOYSA-N 50003092 CHEMBL411275 Adenosine receptor A2a Homo sapiens 224 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003092&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451018 242056403 CHEMBL411275 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070716 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1 InChI=1S/C29H29ClN6O4S/c1-3-10-36-23-16-22(31-26(23)27(38)33(2)29(36)39)18-4-7-20(8-5-18)40-17-25(37)34-11-13-35(14-12-34)28-32-21-9-6-19(30)15-24(21)41-28/h4-9,15-16,31H,3,10-14,17H2,1-2H3 AXULASFETXLXAO-UHFFFAOYSA-N 50003101 CHEMBL407202 Adenosine receptor A2a Homo sapiens 631 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451100 242056412 CHEMBL407202 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070719 COCCn1c2cc([nH]c2c(=O)n(CCOC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C30H35N5O6/c1-39-18-16-34-26-20-25(31-28(26)29(37)35(30(34)38)17-19-40-2)22-8-10-24(11-9-22)41-21-27(36)33-14-12-32(13-15-33)23-6-4-3-5-7-23/h3-11,20,31H,12-19,21H2,1-2H3 BUGXUFTUXBXARC-UHFFFAOYSA-N 50003098 CHEMBL261212 Adenosine receptor A2a Homo sapiens 398 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003098&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451099 242056409 CHEMBL261212 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070722 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1 InChI=1S/C30H34ClN5O4/c1-3-13-35-26-19-24(32-28(26)29(38)36(14-4-2)30(35)39)21-9-11-22(12-10-21)40-20-27(37)34-17-15-33(16-18-34)25-8-6-5-7-23(25)31/h5-12,19,32H,3-4,13-18,20H2,1-2H3 RMAKKUPIQMHZBE-UHFFFAOYSA-N 50003087 CHEMBL259870 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003087&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450932 242056398 CHEMBL259870 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070723 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Br)cc2)cc1 InChI=1S/C26H26BrN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3 WZUIISQBVTWPJF-UHFFFAOYSA-N 50003225 CHEMBL411075 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003225&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451305 103917205 CHEMBL411075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070724 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C31H37N5O4/c1-4-15-35-27-21-26(32-28(27)30(38)36(16-5-2)31(35)39)23-11-13-25(14-12-23)40-22(3)29(37)34-19-17-33(18-20-34)24-9-7-6-8-10-24/h6-14,21-22,32H,4-5,15-20H2,1-3H3 HGCVDYJWBKDNNU-UHFFFAOYSA-N 50003085 CHEMBL259871 Adenosine receptor A2a Homo sapiens 240 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003085&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450933 242056397 CHEMBL259871 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070725 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1 InChI=1S/C26H26ClN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3 UIKITGOEYICETD-UHFFFAOYSA-N 50003226 CHEMBL261056 Adenosine receptor A2a Homo sapiens 398 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451306 103917206 CHEMBL261056 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070727 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1 InChI=1S/C27H25ClN6O4S/c1-31-21-14-19(29-24(21)25(36)32(2)27(31)37)16-3-6-18(7-4-16)38-15-23(35)33-9-11-34(12-10-33)26-30-20-13-17(28)5-8-22(20)39-26/h3-8,13-14,29H,9-12,15H2,1-2H3 VLZIHWVFTXOQPO-UHFFFAOYSA-N 50003222 CHEMBL440418 Adenosine receptor A2a Homo sapiens 182 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003222&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451303 103917202 CHEMBL440418 ZINC96178615 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070728 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1 InChI=1S/C27H28N4O4/c1-29-23-16-22(28-25(23)26(33)30(2)27(29)34)20-8-10-21(11-9-20)35-17-24(32)31-14-12-19(13-15-31)18-6-4-3-5-7-18/h3-11,16,19,28H,12-15,17H2,1-2H3 RGRBCQJPMFJKHU-UHFFFAOYSA-N 50003082 CHEMBL259869 Adenosine receptor A2a Homo sapiens 794 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003082&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450931 242056394 CHEMBL259869 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070733 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 InChI=1S/C26H26FN5O4/c1-29-22-15-21(28-24(22)25(34)30(2)26(29)35)17-3-9-20(10-4-17)36-16-23(33)32-13-11-31(12-14-32)19-7-5-18(27)6-8-19/h3-10,15,28H,11-14,16H2,1-2H3 OXMNYRSFVFPRSG-UHFFFAOYSA-N 50003217 CHEMBL259733 Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003217&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451253 103917197 CHEMBL259733 ZINC96178612 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070734 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)cc1 InChI=1S/C32H37N5O6/c1-3-14-36-27-20-26(33-29(27)30(39)37(15-4-2)31(36)40)24-10-12-25(13-11-24)42-22-28(38)34-16-18-35(19-17-34)32(41)43-21-23-8-6-5-7-9-23/h5-13,20,33H,3-4,14-19,21-22H2,1-2H3 WQNHFQJVMCIZLP-UHFFFAOYSA-N 50003212 CHEMBL260433 Adenosine receptor A2a Homo sapiens 151 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451200 103917192 CHEMBL260433 ZINC96178605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070735 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 InChI=1S/C37H41N5O4/c1-3-19-41-32-25-31(38-34(32)36(44)42(20-4-2)37(41)45)27-15-17-30(18-16-27)46-26-33(43)39-21-23-40(24-22-39)35(28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,25,35,38H,3-4,19-24,26H2,1-2H3 WSKCJGRELCVAAA-UHFFFAOYSA-N 50003213 CHEMBL260434 Adenosine receptor A2a Homo sapiens 1585 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003213&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451201 103917193 CHEMBL260434 ZINC96178607 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070736 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2nc3cc(Cl)ccc3s2)cc1 InChI=1S/C29H29ClN6O4S/c1-29(2,26(38)35-11-13-36(14-12-35)27-32-21-15-18(30)7-10-23(21)41-27)40-19-8-5-17(6-9-19)20-16-22-24(31-20)25(37)34(4)28(39)33(22)3/h5-10,15-16,31H,11-14H2,1-4H3 HDLYYESDVJLDCB-UHFFFAOYSA-N 50375410 CHEMBL407204 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375410&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451254 160854500 CHEMBL407204 ZINC29059612 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070737 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C32H39N5O4/c1-5-16-36-27-22-26(33-28(27)29(38)37(17-6-2)31(36)40)23-12-14-25(15-13-23)41-32(3,4)30(39)35-20-18-34(19-21-35)24-10-8-7-9-11-24/h7-15,22,33H,5-6,16-21H2,1-4H3 RCNXLDXCCDAYCZ-UHFFFAOYSA-N 50003214 CHEMBL407179 Adenosine receptor A2a Homo sapiens 263 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003214&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451199 103917194 CHEMBL407179 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070738 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C#N)cc1 InChI=1S/C27H26N6O4/c1-30-23-15-22(29-25(23)26(35)31(2)27(30)36)19-5-9-21(10-6-19)37-17-24(34)33-13-11-32(12-14-33)20-7-3-18(16-28)4-8-20/h3-10,15,29H,11-14,17H2,1-2H3 UEQUPTZSDGBOJI-UHFFFAOYSA-N 50003100 CHEMBL410297 Adenosine receptor A2a Homo sapiens 355 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003100&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451272 242056411 CHEMBL410297 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070739 COc1cc(ccc1OCC(=O)N1CCc2ccccc2C1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C26H26N4O5/c1-28-20-13-19(27-24(20)25(32)29(2)26(28)33)17-8-9-21(22(12-17)34-3)35-15-23(31)30-11-10-16-6-4-5-7-18(16)14-30/h4-9,12-13,27H,10-11,14-15H2,1-3H3 OKBCCHMQJIBFNP-UHFFFAOYSA-N 50003208 CHEMBL259155 Adenosine receptor A2a Homo sapiens 6761 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451197 103917188 CHEMBL259155 ZINC96178604 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070740 CCn1c2cc([nH]c2c(=O)n(CC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C28H31N5O4/c1-3-32-24-18-23(29-26(24)27(35)33(4-2)28(32)36)20-10-12-22(13-11-20)37-19-25(34)31-16-14-30(15-17-31)21-8-6-5-7-9-21/h5-13,18,29H,3-4,14-17,19H2,1-2H3 YNTUOLUMNOOQFL-UHFFFAOYSA-N 50003095 CHEMBL409481 Adenosine receptor A2a Homo sapiens 692 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003095&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451020 242056406 CHEMBL409481 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070741 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2c(Cl)cncc2Cl)cc1 InChI=1S/C25H24Cl2N6O4/c1-30-20-11-19(29-22(20)24(35)31(2)25(30)36)15-3-5-16(6-4-15)37-14-21(34)32-7-9-33(10-8-32)23-17(26)12-28-13-18(23)27/h3-6,11-13,29H,7-10,14H2,1-2H3 NIJYZDRAKAUXOS-UHFFFAOYSA-N 50003103 CHEMBL258568 Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003103&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451271 242056414 CHEMBL258568 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070742 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C30H35N5O4/c1-3-14-34-26-20-25(31-28(26)29(37)35(15-4-2)30(34)38)22-10-12-24(13-11-22)39-21-27(36)33-18-16-32(17-19-33)23-8-6-5-7-9-23/h5-13,20,31H,3-4,14-19,21H2,1-2H3 ULPAZGVYSKTRNT-UHFFFAOYSA-N 50003094 CHEMBL259057 Adenosine receptor A2a Homo sapiens 162 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451021 242056405 CHEMBL259057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070743 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 InChI=1S/C28H30FN5O4/c1-3-12-34-24-17-23(30-26(24)27(36)31(2)28(34)37)19-4-10-22(11-5-19)38-18-25(35)33-15-13-32(14-16-33)21-8-6-20(29)7-9-21/h4-11,17,30H,3,12-16,18H2,1-2H3 SLHFRTFEGMLRBP-UHFFFAOYSA-N 50003078 CHEMBL259580 Adenosine receptor A2a Homo sapiens 468 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003078&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451048 242056390 CHEMBL259580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070744 CN1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H25N5O4/c1-23-8-10-26(11-9-23)18(27)13-30-15-6-4-14(5-7-15)16-12-17-19(22-16)20(28)25(3)21(29)24(17)2/h4-7,12,22H,8-11,13H2,1-3H3 JXHZOGRCMMGJHI-UHFFFAOYSA-N 50003197 CHEMBL427602 Adenosine receptor A2a Homo sapiens 794 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451106 103917177 CHEMBL427602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070746 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1 InChI=1S/C28H30ClN5O4/c1-3-12-34-24-17-22(30-26(24)27(36)31(2)28(34)37)19-8-10-20(11-9-19)38-18-25(35)33-15-13-32(14-16-33)23-7-5-4-6-21(23)29/h4-11,17,30H,3,12-16,18H2,1-2H3 HRSQJYMVPNMXJV-UHFFFAOYSA-N 50003081 CHEMBL410934 Adenosine receptor A2a Homo sapiens 1096 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003081&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451049 242056393 CHEMBL410934 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070749 CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C28H31N5O4/c1-3-13-33-27(35)26-24(30(2)28(33)36)18-23(29-26)20-9-11-22(12-10-20)37-19-25(34)32-16-14-31(15-17-32)21-7-5-4-6-8-21/h4-12,18,29H,3,13-17,19H2,1-2H3 MVXQPTZVKKODKU-UHFFFAOYSA-N 50003088 CHEMBL259581 Adenosine receptor A2a Homo sapiens 316 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003088&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451050 242056399 CHEMBL259581 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070755 COc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C27H29N5O5/c1-29-23-16-22(28-25(23)26(34)30(2)27(29)35)18-4-8-21(9-5-18)37-17-24(33)32-14-12-31(13-15-32)19-6-10-20(36-3)11-7-19/h4-11,16,28H,12-15,17H2,1-3H3 BJDSGGOVWSZMIQ-UHFFFAOYSA-N 50003224 CHEMBL259529 Adenosine receptor A2a Homo sapiens 170 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003224&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451252 103917204 CHEMBL259529 ZINC96178618 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070760 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 InChI=1S/C28H27FN4O5/c1-31-23-15-22(30-25(23)27(36)32(2)28(31)37)17-5-9-21(10-6-17)38-16-24(34)33-13-11-19(12-14-33)26(35)18-3-7-20(29)8-4-18/h3-10,15,19,30H,11-14,16H2,1-2H3 NCGWALJTIUYMBB-UHFFFAOYSA-N 50003231 CHEMBL258810 Adenosine receptor A2a Homo sapiens 302 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450930 103917211 CHEMBL258810 ZINC96178625 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070761 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCC(O)(CC2)c2ccccc2)cc1 InChI=1S/C31H36N4O5/c1-3-16-34-26-20-25(32-28(26)29(37)35(17-4-2)30(34)38)22-10-12-24(13-11-22)40-21-27(36)33-18-14-31(39,15-19-33)23-8-6-5-7-9-23/h5-13,20,32,39H,3-4,14-19,21H2,1-2H3 VCHSWNYVNZOQFN-UHFFFAOYSA-N 50003230 CHEMBL258809 Adenosine receptor A2a Homo sapiens 1148 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450929 103917210 CHEMBL258809 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070762 COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C27H29N5O5/c1-29-22-16-20(28-25(22)26(34)30(2)27(29)35)18-8-10-19(11-9-18)37-17-24(33)32-14-12-31(13-15-32)21-6-4-5-7-23(21)36-3/h4-11,16,28H,12-15,17H2,1-3H3 IPTSLCJIXLAWGA-UHFFFAOYSA-N 50003215 CHEMBL258778 Adenosine receptor A2a Homo sapiens 2344 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451480 103917195 CHEMBL258778 ZINC96178608 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070767 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccn2)cc1 InChI=1S/C25H26N6O4/c1-28-20-15-19(27-23(20)24(33)29(2)25(28)34)17-6-8-18(9-7-17)35-16-22(32)31-13-11-30(12-14-31)21-5-3-4-10-26-21/h3-10,15,27H,11-14,16H2,1-2H3 COZXTLBZZGTRNN-UHFFFAOYSA-N 50003090 CHEMBL260495 Adenosine receptor A2a Homo sapiens 708 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451129 242056401 CHEMBL260495 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070768 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C29H32N4O4/c1-3-14-32-25-17-24(30-27(25)28(35)33(15-4-2)29(32)36)21-9-11-23(12-10-21)37-19-26(34)31-16-13-20-7-5-6-8-22(20)18-31/h5-12,17,30H,3-4,13-16,18-19H2,1-2H3 QGKDRDIIMCNPMP-UHFFFAOYSA-N 50003223 CHEMBL258978 Adenosine receptor A2a Homo sapiens 93 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003223&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9827315 103917203 CHEMBL258978 ZINC96178617 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070769 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2c(Cl)cncc2Cl)cc1 InChI=1S/C29H32Cl2N6O4/c1-3-9-36-24-15-23(33-26(24)28(39)37(10-4-2)29(36)40)19-5-7-20(8-6-19)41-18-25(38)34-11-13-35(14-12-34)27-21(30)16-32-17-22(27)31/h5-8,15-17,33H,3-4,9-14,18H2,1-2H3 FUEMYLOSTYUJAL-UHFFFAOYSA-N 50003220 CHEMBL258979 Adenosine receptor A2a Homo sapiens 74 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450850 103917200 CHEMBL258979 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070771 CC(Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccccc1Cl InChI=1S/C27H28ClN5O4/c1-17(25(34)33-14-12-32(13-15-33)22-7-5-4-6-20(22)28)37-19-10-8-18(9-11-19)21-16-23-24(29-21)26(35)31(3)27(36)30(23)2/h4-11,16-17,29H,12-15H2,1-3H3 PISRJZTUJLQZAW-UHFFFAOYSA-N 50003089 CHEMBL412275 Adenosine receptor A2a Homo sapiens 741 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003089&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451128 242056400 CHEMBL412275 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070776 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)C(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C30H34N4O4/c1-4-15-33-26-18-25(31-27(26)29(36)34(16-5-2)30(33)37)22-10-12-24(13-11-22)38-20(3)28(35)32-17-14-21-8-6-7-9-23(21)19-32/h6-13,18,20,31H,4-5,14-17,19H2,1-3H3 QIJQMGMWNNEWQE-UHFFFAOYSA-N 50003218 CHEMBL412293 Adenosine receptor A2a Homo sapiens 158 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003218&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450849 103917198 CHEMBL412293 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070779 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C31H34F3N5O4/c1-3-13-38-26-19-25(35-28(26)29(41)39(14-4-2)30(38)42)21-5-11-24(12-6-21)43-20-27(40)37-17-15-36(16-18-37)23-9-7-22(8-10-23)31(32,33)34/h5-12,19,35H,3-4,13-18,20H2,1-2H3 FOSDVAMOMCOKRT-UHFFFAOYSA-N 50003107 CHEMBL260221 Adenosine receptor A2a Homo sapiens 174 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003107&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451053 242056418 CHEMBL260221 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070789 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C25H24N4O4/c1-27-21-13-20(26-23(21)24(31)28(2)25(27)32)17-7-9-19(10-8-17)33-15-22(30)29-12-11-16-5-3-4-6-18(16)14-29/h3-10,13,26H,11-12,14-15H2,1-2H3 XICBEZUAIRPALD-UHFFFAOYSA-N 50003211 CHEMBL259105 Adenosine receptor A2a Homo sapiens 427 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450829 103917191 CHEMBL259105 ZINC27215530 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070790 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C27H28N4O4/c1-3-13-31-23-15-22(28-25(23)26(33)29(2)27(31)34)19-8-10-21(11-9-19)35-17-24(32)30-14-12-18-6-4-5-7-20(18)16-30/h4-11,15,28H,3,12-14,16-17H2,1-2H3 TVYGQOAGWHNVNS-UHFFFAOYSA-N 50003210 CHEMBL408185 Adenosine receptor A2a Homo sapiens 208 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450828 103917190 CHEMBL408185 ZINC27208011 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070802 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C27H26F3N5O4/c1-32-22-15-21(31-24(22)25(37)33(2)26(32)38)17-3-9-20(10-4-17)39-16-23(36)35-13-11-34(12-14-35)19-7-5-18(6-8-19)27(28,29)30/h3-10,15,31H,11-14,16H2,1-2H3 KIALUZDOKLHLGO-UHFFFAOYSA-N 50003115 CHEMBL412063 Adenosine receptor A2a Homo sapiens 132 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003115&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451285 103917096 CHEMBL412063 ZINC00001655 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070803 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 InChI=1S/C28H30ClN5O4/c1-3-11-34-24-17-23(30-26(24)27(36)31(2)28(34)37)19-7-9-22(10-8-19)38-18-25(35)33-14-12-32(13-15-33)21-6-4-5-20(29)16-21/h4-10,16-17,30H,3,11-15,18H2,1-2H3 JFMMFYOROPNMEM-UHFFFAOYSA-N 50003234 CHEMBL409443 Adenosine receptor A2a Homo sapiens 479 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451074 103917214 CHEMBL409443 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070804 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 InChI=1S/C30H34ClN5O4/c1-3-12-35-26-19-25(32-28(26)29(38)36(13-4-2)30(35)39)21-8-10-24(11-9-21)40-20-27(37)34-16-14-33(15-17-34)23-7-5-6-22(31)18-23/h5-11,18-19,32H,3-4,12-17,20H2,1-2H3 LFSSHPZPGDYFIC-UHFFFAOYSA-N 50375414 CHEMBL260051 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375414&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451075 160854504 CHEMBL260051 ZINC29058632 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070806 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1 InChI=1S/C31H33ClN6O4S/c1-3-11-37-25-18-24(33-28(25)29(40)38(12-4-2)31(37)41)20-5-8-22(9-6-20)42-19-27(39)35-13-15-36(16-14-35)30-34-23-10-7-21(32)17-26(23)43-30/h5-10,17-18,33H,3-4,11-16,19H2,1-2H3 FIPCWXMPGWCHJR-UHFFFAOYSA-N 50003153 CHEMBL402474 Adenosine receptor A2a Homo sapiens 813 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003153&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451229 242056420 CHEMBL402474 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070808 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(=O)Oc2ccccc2)cc1 InChI=1S/C31H35N5O6/c1-3-14-35-26-20-25(32-28(26)29(38)36(15-4-2)30(35)39)22-10-12-23(13-11-22)41-21-27(37)33-16-18-34(19-17-33)31(40)42-24-8-6-5-7-9-24/h5-13,20,32H,3-4,14-19,21H2,1-2H3 KIDLMTBTXJXJRT-UHFFFAOYSA-N 50003151 CHEMBL261792 Adenosine receptor A2a Homo sapiens 155 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003151&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451230 103917132 50217 CHEMBL261792 ZINC22056030 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070810 COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3 CSSFLQDIZXHZCC-UHFFFAOYSA-N 50003221 CHEMBL428605 Adenosine receptor A2a Homo sapiens 7079 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451482 103917201 CHEMBL428605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070816 CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1 InChI=1S/C29H32N4O4/c1-3-15-33-25-18-24(30-27(25)28(35)31(2)29(33)36)22-9-11-23(12-10-22)37-19-26(34)32-16-13-21(14-17-32)20-7-5-4-6-8-20/h4-12,18,21,30H,3,13-17,19H2,1-2H3 PGXQZXDDBGEOCI-UHFFFAOYSA-N 50375417 CHEMBL259857 Adenosine receptor A2a Homo sapiens 1023 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50375417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50375417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450997 160854507 CHEMBL259857 ZINC29058253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070824 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)cc1 InChI=1S/C37H40N4O4/c1-3-21-40-32-25-31(38-34(32)35(43)41(22-4-2)36(40)44)27-15-17-30(18-16-27)45-26-33(42)39-23-19-37(20-24-39,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-18,25,38H,3-4,19-24,26H2,1-2H3 JGISKOZDRGMTGT-UHFFFAOYSA-N 50003083 CHEMBL259760 Adenosine receptor A2a Homo sapiens 1047 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003083&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450905 242056395 CHEMBL259760 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070825 O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)N1CCc2ccccc2C1 InChI=1S/C31H32N4O4/c36-28(33-14-13-22-3-1-2-4-24(22)18-33)19-39-25-11-9-23(10-12-25)26-15-27-29(32-26)30(37)35(17-21-7-8-21)31(38)34(27)16-20-5-6-20/h1-4,9-12,15,20-21,32H,5-8,13-14,16-19H2 SJVLZHJJIWSOJI-UHFFFAOYSA-N 50003108 CHEMBL259104 Adenosine receptor A2a Homo sapiens 240 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003108&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450826 242056419 CHEMBL259104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070828 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC(C)(C)C(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C28H31N5O4/c1-28(2,26(35)33-16-14-32(15-17-33)20-8-6-5-7-9-20)37-21-12-10-19(11-13-21)22-18-23-24(29-22)25(34)31(4)27(36)30(23)3/h5-13,18,29H,14-17H2,1-4H3 FENZVXYTZBQCNH-UHFFFAOYSA-N 50003219 CHEMBL411720 Adenosine receptor A2a Homo sapiens 174 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003219&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451483 103917199 CHEMBL411720 ZINC96178614 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070829 O=C(COc1ccc(cc1)-c1cc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1)N1CCN(CC1)c1ccccc1 InChI=1S/C32H35N5O4/c38-29(35-16-14-34(15-17-35)25-4-2-1-3-5-25)21-41-26-12-10-24(11-13-26)27-18-28-30(33-27)31(39)37(20-23-8-9-23)32(40)36(28)19-22-6-7-22/h1-5,10-13,18,22-23,33H,6-9,14-17,19-21H2 FZSRIJONUFLHPK-UHFFFAOYSA-N 50003233 CHEMBL408048 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003233&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451073 103917213 CHEMBL408048 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070832 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccccc2)cc1 InChI=1S/C31H36N4O4/c1-3-16-34-27-20-26(32-29(27)30(37)35(17-4-2)31(34)38)24-10-12-25(13-11-24)39-21-28(36)33-18-14-23(15-19-33)22-8-6-5-7-9-22/h5-13,20,23,32H,3-4,14-19,21H2,1-2H3 MSQKTUZSXKPPLD-UHFFFAOYSA-N 50003080 CHEMBL260180 Adenosine receptor A2a Homo sapiens 589 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003080&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450904 242056392 CHEMBL260180 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070833 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2Cl)cc1 InChI=1S/C26H26ClN5O4/c1-29-22-15-20(28-24(22)25(34)30(2)26(29)35)17-7-9-18(10-8-17)36-16-23(33)32-13-11-31(12-14-32)21-6-4-3-5-19(21)27/h3-10,15,28H,11-14,16H2,1-2H3 HMONSTNBPLTKBW-UHFFFAOYSA-N 50003128 CHEMBL262333 Adenosine receptor A2a Homo sapiens 355 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451284 103917109 CHEMBL262333 ZINC13727667 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070834 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C26H27N5O4/c1-28-22-16-21(27-24(22)25(33)29(2)26(28)34)18-8-10-20(11-9-18)35-17-23(32)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16,27H,12-15,17H2,1-2H3 YFOHBZPJQXLDMO-UHFFFAOYSA-N 50003120 CHEMBL262332 Adenosine receptor A2a Homo sapiens 107 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003120&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44451283 103917101 CHEMBL262332 ZINC13727695 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50070835 COc1ccc(cc1)C1CCN(CC1)C(=O)COc1ccc(cc1OC)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C29H32N4O6/c1-31-23-16-22(30-27(23)28(35)32(2)29(31)36)20-7-10-24(25(15-20)38-4)39-17-26(34)33-13-11-19(12-14-33)18-5-8-21(37-3)9-6-18/h5-10,15-16,19,30H,11-14,17H2,1-4H3 NULTXTUWPROTNK-UHFFFAOYSA-N 50003077 CHEMBL260179 Adenosine receptor A2a Homo sapiens 871 ChEMBL 10.1016/j.bmc.2008.01.002 10.7270/Q2G73FMZ 18226909 Stefanachi, A; Brea, JM; Cadavid, MI; Centeno, NB; Esteve, C; Loza, MI; Martinez, A; Nieto, R; Ravina, E; Sanz, F; Segarra, V; Sotelo, E; Vidal, B; Carotti, A Universit£ di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003077&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450903 242056389 CHEMBL260179 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078842 COc1cc(CN=Nc2ncnc3sc4CCCCc4c23)ccc1O InChI=1S/C18H18N4O2S/c1-24-14-8-11(6-7-13(14)23)9-21-22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17/h6-8,10,23H,2-5,9H2,1H3 STFFILSSNNGGPS-UHFFFAOYSA-N 50389833 CHEMBL1089322 Adenosine receptor A2a Homo sapiens 5012 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389833&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91424163 160868916 CHEMBL1089322 ZINC04753964 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078844 Cc1cc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)[nH]n1 InChI=1S/C20H16N6OS/c1-12-10-17(25-24-12)23-18(27)11-28-20-22-14-7-3-2-6-13(14)19-21-15-8-4-5-9-16(15)26(19)20/h2-10H,11H2,1H3,(H2,23,24,25,27) DVMPSAOLVIMIJD-UHFFFAOYSA-N 50389841 CHEMBL2070717 Adenosine receptor A2a Homo sapiens 631 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389841&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 2967583 160868924 CHEMBL2070717 ZINC05028285 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078845 NS(=O)(=O)c1ccc(cc1)N=NC(C#N)c1nc2ccccc2[nH]1 InChI=1S/C15H12N6O2S/c16-9-14(15-18-12-3-1-2-4-13(12)19-15)21-20-10-5-7-11(8-6-10)24(17,22)23/h1-8,14H,(H,18,19)(H2,17,22,23) HHIJNJVKPRZBGF-UHFFFAOYSA-N 50389844 CHEMBL2070728 Adenosine receptor A2a Homo sapiens 5012 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389844&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11667269 160868927 CHEMBL2070728 ZINC04813379 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078846 NC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=Nc1nc2ccccc2o1 InChI=1S/C25H19N5O4/c26-24(29-25-27-18-12-6-7-13-20(18)34-25)28-21(31)19(14-15-8-2-1-3-9-15)30-22(32)16-10-4-5-11-17(16)23(30)33/h1-13,19H,14H2,(H3,26,27,28,29,31) DHIFDKNHQLDJRO-UHFFFAOYSA-N 50389845 CHEMBL1362986 Adenosine receptor A2a Homo sapiens 3981 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389845&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5727370 160868928 CHEMBL1362986 ZINC18143899 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078847 OC(COc1ccc2C(=O)c3ccccc3C(=O)c2c1)CN1CCCCC1 InChI=1S/C22H23NO4/c24-15(13-23-10-4-1-5-11-23)14-27-16-8-9-19-20(12-16)22(26)18-7-3-2-6-17(18)21(19)25/h2-3,6-9,12,15,24H,1,4-5,10-11,13-14H2 PXWCKUXFCXALLR-UHFFFAOYSA-N 50389829 CHEMBL2070833 Adenosine receptor A2a Homo sapiens 5012 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389829&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3462291 160868912 CHEMBL2070833 ZINC04122000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078854 Nc1ccc(cc1)C(=O)Nc1ccc(O)c(c1)-c1nc2ccccc2[nH]1 InChI=1S/C20H16N4O2/c21-13-7-5-12(6-8-13)20(26)22-14-9-10-18(25)15(11-14)19-23-16-3-1-2-4-17(16)24-19/h1-11,25H,21H2,(H,22,26)(H,23,24) BYOZAJBNWIUZAH-UHFFFAOYSA-N 50389846 CHEMBL2070720 Adenosine receptor A2a Homo sapiens 1585 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389846&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5447890 160868929 CHEMBL2070720 ZINC00911862 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078856 Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3cccs3)nc12 InChI=1S/C14H13N3O3S3/c1-9-4-2-5-10-13(9)17-14(22-10)16-11(18)8-15-23(19,20)12-6-3-7-21-12/h2-7,15H,8H2,1H3,(H,16,17,18) WEBVJYSWMVKMFV-UHFFFAOYSA-N 50389837 CHEMBL2070721 Adenosine receptor A2a Homo sapiens 1585 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389837&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22422193 160868920 CHEMBL2070721 ZINC04758001 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078857 CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12 InChI=1S/C16H14N4O3/c1-2-23-16(22)14-15(18-9-17-14)20-19-13-11-6-4-3-5-10(11)7-8-12(13)21/h3-9,21H,2H2,1H3,(H,17,18) QFGQXFPLOJFEDK-UHFFFAOYSA-N 51080 4-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1H-imidazole-5-carboxylic acid ethyl ester::4-[(N'Z)-N'-(2-keto-1-naphthylidene)hydrazino]-1H-imidazole-5-carboxylic acid ethyl ester::MLS000705197::SMR000231024::cid_6078945::ethyl 4-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-1H-imidazole-5-carboxylate::ethyl 4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-1H-imidazole-5-carboxylate::ethyl 5-[(2-hydroxy-1-naphthyl)diazenyl]-1H-imidazole-4-carboxylate Adenosine receptor A2a Homo sapiens 1259 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51080&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6078945 252631317 ZINC13121994 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078859 Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2c(C)cccc2s1 InChI=1S/C19H23N5O3S2/c1-11-5-4-6-15-16(11)20-19(28-15)21-18(25)14-7-9-24(10-8-14)29(26,27)17-12(2)22-23-13(17)3/h4-6,14H,7-10H2,1-3H3,(H,22,23)(H,20,21,25) COZCUYOGTFSJBL-UHFFFAOYSA-N 50389839 CHEMBL2070719 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389839&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16003546 160868922 CHEMBL2070719 ZINC20181862 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078860 O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1 InChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22) ULXHINOEZKZYNA-UHFFFAOYSA-N 50389830 CHEMBL1714515 Adenosine receptor A2a Homo sapiens 5012 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 2789377 160868913 CHEMBL1714515 ZINC09010117 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078861 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) BNRNXUUZRGQAQC-UHFFFAOYSA-N 14390 5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one::5-{2-ethoxy-5-[(4-methylpiperazine-1-)sulfonyl]phenyl}-1-methyl-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one::CHEMBL192::SILDENAFIL CITRATE::Sildenafil::Sildenafil#::US11155558, Compound sildenafil::US11242347, Compound sildenafil::Viagra Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14390&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search VIA 1XOS,3JWQ,2H42,1UDT,1TBF 5212 46514731 9139 CHEMBL192 4743 C07259 ZINC19796168 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078862 CC1CCN(CC1)C(=O)c1ccc2c(c1)n1nnc(-c3ccccc3)c1[nH]c2=O InChI=1S/C22H21N5O2/c1-14-9-11-26(12-10-14)22(29)16-7-8-17-18(13-16)27-20(23-21(17)28)19(24-25-27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28) MUBJZGRZWFNKAV-UHFFFAOYSA-N 50389832 CHEMBL2070726 Adenosine receptor A2a Homo sapiens 2512 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389832&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6621324 160868915 CHEMBL2070726 ZINC06732998 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078863 COCC1=NC(NC(O)C1)=Nc1nc(C)c2ccccc2n1 InChI=1S/C15H17N5O2/c1-9-11-5-3-4-6-12(11)18-14(16-9)20-15-17-10(8-22-2)7-13(21)19-15/h3-6,13,21H,7-8H2,1-2H3,(H,16,18,19,20) URQCKZRYGILKST-UHFFFAOYSA-N 50389831 CHEMBL2070727 Adenosine receptor A2a Homo sapiens 631 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91929815 160868914 CHEMBL2070727 ZINC05008345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078864 Cc1cnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc32)s1 InChI=1S/C16H14N6OS2/c1-8-3-4-11-10(5-8)13-14(18-11)20-16(22-21-13)24-7-12(23)19-15-17-6-9(2)25-15/h3-6H,7H2,1-2H3,(H,17,19,23)(H,18,20,22) SQCJGLDOAFXMRT-UHFFFAOYSA-N 50389835 CHEMBL2070724 Adenosine receptor A2a Homo sapiens 3981 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389835&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6402968 160868918 CHEMBL2070724 ZINC05519401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078865 Cc1nc2[nH]c3ccccc3n2c(=O)c1CCOC(=O)C1CCCCC1 InChI=1S/C20H23N3O3/c1-13-15(11-12-26-19(25)14-7-3-2-4-8-14)18(24)23-17-10-6-5-9-16(17)22-20(23)21-13/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,22) MBWBRIRTRMJYEG-UHFFFAOYSA-N 50389834 CHEMBL2070725 Adenosine receptor A2a Homo sapiens 2512 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389834&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1482927 160868917 CHEMBL2070725 ZINC01396375 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078866 NC(Nc1nc2ccccc2s1)=NC(=O)CN1C(=O)C2CCCCC2C1=O InChI=1S/C18H19N5O3S/c19-17(22-18-20-12-7-3-4-8-13(12)27-18)21-14(24)9-23-15(25)10-5-1-2-6-11(10)16(23)26/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,19,20,21,22,24) MIWQXYRPJRSUKA-UHFFFAOYSA-N 50389836 CHEMBL2070722 Adenosine receptor A2a Homo sapiens 5012 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9586623 160868919 CHEMBL2070722 ZINC18136703 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078867 CC1=C(C(C(C#N)C(SCC(N)=O)=N1)c1ccco1)C(=O)Nc1nc2ccccc2s1 InChI=1S/C21H17N5O3S2/c1-11-17(19(28)26-21-25-13-5-2-3-7-15(13)31-21)18(14-6-4-8-29-14)12(9-22)20(24-11)30-10-16(23)27/h2-8,12,18H,10H2,1H3,(H2,23,27)(H,25,26,28) QRFVIPZTUJZSKX-UHFFFAOYSA-N 50389842 CHEMBL2070723 Adenosine receptor A2a Homo sapiens 6310 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50389842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50389842&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91929816 160868925 CHEMBL2070723 ZINC09458384 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50078868 NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30) MYUCPCJDLCLXDA-UHFFFAOYSA-N 44650 1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazolin-3-yl}carbonyl)piperidine-4-carboxamide::1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide::1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide::1-[6-(cyanomethylthio)benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide::1-[[6-(cyanomethylthio)-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide::CHEMBL1501213::MLS000095230::SMR000030784::cid_3240564 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1021/jm300280e 10.7270/Q2N58NFZ 22563707 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C Radboud University Nijmegen Medical Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=44650&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3240564 252625256 CHEMBL1501213 ZINC00495777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50081156 CCN(CC)CCN1CCN(CC1)C(=O)CCc1cccc(CSc2nc(N)c(C#N)c(n2)-c2ccc(NC(C)=O)cc2)n1 InChI=1S/C32H41N9O2S/c1-4-39(5-2)15-16-40-17-19-41(20-18-40)29(43)14-13-25-7-6-8-27(36-25)22-44-32-37-30(28(21-33)31(34)38-32)24-9-11-26(12-10-24)35-23(3)42/h6-12H,4-5,13-20,22H2,1-3H3,(H,35,42)(H2,34,37,38) DMDJTLNTJHFQMG-UHFFFAOYSA-N 50003647 CHEMBL3235280 Adenosine receptor A2a Homo sapiens 3.0 ChEMBL 10.1021/jm401643m 10.7270/Q27P90X6 24669958 Louvel, J; Guo, D; Agliardi, M; Mocking, TA; Kars, R; Pham, TP; Xia, L; de Vries, H; Brussee, J; Heitman, LH; Ijzerman, AP Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50003647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50003647&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11527363 242056457 CHEMBL3235280 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091061 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A2a Homo sapiens 0.600000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091062 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A2a Homo sapiens 0.600 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091063 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) XKKWPFKDCSUYBS-UHFFFAOYSA-N 50202773 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL395472 Adenosine receptor A2a Homo sapiens 0.900000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202773&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10278807 104082158 CHEMBL395472 ZINC53188748 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091064 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1 InChI=1S/C26H30N10O2/c1-37-16-17-38-20-7-5-19(6-8-20)34-13-10-33(11-14-34)12-15-35-18-29-22-24(35)31-26(27)36-25(22)30-23(32-36)21-4-2-3-9-28-21/h2-9,18H,10-17H2,1H3,(H2,27,31) QWAQFKPHWVBFHJ-UHFFFAOYSA-N 50202770 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-(pyridin-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246675 Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10118562 104082155 CHEMBL246675 ZINC28877595 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091065 Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C21H21N9O/c1-13-9-14-12-28(5-4-16(14)23-10-13)6-7-29-19-15(11-24-29)20-25-18(17-3-2-8-31-17)27-30(20)21(22)26-19/h2-3,8-11H,4-7,12H2,1H3,(H2,22,26) VKHRKRHXPXOULC-UHFFFAOYSA-N 50242873 2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL513364 Adenosine receptor A2a Homo sapiens 2.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10287779 104099292 CHEMBL513364 ZINC38460221 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091066 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N InChI=1S/C25H25F2N9/c1-33(7-8-34-9-11-35(12-10-34)21-6-5-19(26)14-20(21)27)22-15-23-30-24(32-36(23)25(29)31-22)18-4-2-3-17(13-18)16-28/h2-6,13-15H,7-12H2,1H3,(H2,29,31) ZPTQAAHWOAPCNM-UHFFFAOYSA-N 50256417 3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile::CHEMBL482329 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770622 104107906 CHEMBL482329 ZINC40934349 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091067 CN(C)CCn1ncc2c3nn(Cc4cccc(Cl)c4)c(=O)n3c(N)nc12 InChI=1S/C17H19ClN8O/c1-23(2)6-7-24-14-13(9-20-24)15-22-25(17(27)26(15)16(19)21-14)10-11-4-3-5-12(18)8-11/h3-5,8-9H,6-7,10H2,1-2H3,(H2,19,21) UFERNMHJXPYDCW-UHFFFAOYSA-N 50340049 5-amino-2-(3-chlorobenzyl)-7-(2-(dimethylamino)ethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762513 Adenosine receptor A2a Homo sapiens 5.2 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340049&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44218327 131342985 CHEMBL1762513 ZINC71316029 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091068 Nc1nc2n(CCN3CCOCC3)ncc2c2nn(Cc3cccc(Cl)c3)c(=O)n12 InChI=1S/C19H21ClN8O2/c20-14-3-1-2-13(10-14)12-27-19(29)28-17(24-27)15-11-22-26(16(15)23-18(28)21)5-4-25-6-8-30-9-7-25/h1-3,10-11H,4-9,12H2,(H2,21,23) DTONIABUVXDYLV-UHFFFAOYSA-N 50340047 5-amino-2-(3-chlorobenzyl)-7-(2-morpholinoethyl)-2H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3(7H)-one::CHEMBL1762515 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50340047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50340047&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44217536 131342983 CHEMBL1762515 ZINC71329582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091069 COc1ccc(C2CCOCC2)c2oc(NC(=O)c3ccnc(c3)N3CCOCC3)nc12 InChI=1S/C23H26N4O5/c1-29-18-3-2-17(15-5-10-30-11-6-15)21-20(18)25-23(32-21)26-22(28)16-4-7-24-19(14-16)27-8-12-31-13-9-27/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,25,26,28) FFSZJFKBYPFJNE-UHFFFAOYSA-N 50011292 CHEMBL3260725 Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011292&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22252243 242057798 CHEMBL3260725 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091070 COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12 InChI=1S/C18H17FN4O3S/c1-25-13-10-20-16(23-6-8-26-9-7-23)15-14(13)21-18(27-15)22-17(24)11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3,(H,21,22,24) IVSNRJJOEPNTNL-UHFFFAOYSA-N 50011293 CHEMBL3260726 Adenosine receptor A2a Homo sapiens 5.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011293&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11596214 242057799 CHEMBL3260726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091071 COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24) XNBRWUQWSKXMPW-UHFFFAOYSA-N 50011294 A2A::Ro-4494351::Ro-4494351-002::Ro-4494351000::SYN-115::TOZADENANT Adenosine receptor A2a Homo sapiens 5.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011294&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9XW 5OLO 11618368 242057800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091072 O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 XEEQGYMUWCZPDN-SWLSCSKDSA-N 50377446 (S,R)-MEFLOQUINE Adenosine receptor A2a Homo sapiens 61 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377446&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search YMZ 7DIA,8F51,5UMD,5ZNI 456309 160856529 63684 C07633 ZINC00897089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091073 CC(C)c1nc(-c2nccs2)c2sccc2n1 InChI=1S/C12H11N3S2/c1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H3 BCGFASHRDSXLNN-UHFFFAOYSA-N 50238959 2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidine::CHEMBL407307 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50238959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50238959&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9860013 104056497 CHEMBL407307 ZINC13982501 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091074 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1 InChI=1S/C17H14N6O2/c18-16-21-13(12-7-4-8-25-12)14-15(22-16)23(10-20-14)17(24)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,24)(H2,18,21,22) HOIUTDBGOMHLBQ-UHFFFAOYSA-N 50239036 2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide::CHEMBL261203 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239036&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9949541 104056500 CHEMBL261203 ZINC00003638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091075 Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccco3)c2n1 InChI=1S/C15H12N6O3/c16-14-19-11(10-4-2-6-24-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-1-5-23-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20) WTMAGSBNGPVFQV-UHFFFAOYSA-N 50377559 CHEMBL259832 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50377559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50377559&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9923269 160856642 CHEMBL259832 ZINC29047750 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091076 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) HQSBCDPYXDGTCL-UHFFFAOYSA-N 50254013 3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL447664 Adenosine receptor A2a Homo sapiens 1.3 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9XT 5OLH 21874557 104106404 CHEMBL447664 ZINC40863182 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091077 COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22) MNNAJXPKIBKJNB-UHFFFAOYSA-N 50294501 2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide::CHEMBL564473 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294501&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11739282 104136032 CHEMBL564473 ZINC36377722 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091078 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1 InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22) JWJMIQCWBFWBLV-UHFFFAOYSA-N 35829 pyrimidine-4-carboxamide, 111 Adenosine receptor A2a Homo sapiens 2.5 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35829&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44520976 85856622 ZINC45387310 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091079 Nc1nnc(-c2ccccc2)c(n1)-c1ccccc1 InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19) NZRHOWNFGASHMN-UHFFFAOYSA-N 50382487 CHEMBL1370747 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382487&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 78268 160861570 CHEMBL1370747 ZINC00105284 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091080 Cc1cc(cc(n1)C(F)(F)F)-c1nnc(N)nc1-c1ccccc1 InChI=1S/C16H12F3N5/c1-9-7-11(8-12(21-9)16(17,18)19)14-13(22-15(20)24-23-14)10-5-3-2-4-6-10/h2-8H,1H3,(H2,20,22,24) NDFNRBWLVZWETQ-UHFFFAOYSA-N 50382498 CHEMBL2024119::US10988455, Example 1(ccix) Adenosine receptor A2a Homo sapiens 3.5 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50382498 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50382498&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56964225 160861581 CHEMBL2024119 ZINC84602048 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091081 CC1(C)CCCN(C1)c1nnc(N)nc1-c1ccccc1 InChI=1S/C16H21N5/c1-16(2)9-6-10-21(11-16)14-13(18-15(17)20-19-14)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H2,17,18,20) QRDFCTALHLWPRP-UHFFFAOYSA-N 50011295 CHEMBL3260727::US10988455, Example 2(vi) Adenosine receptor A2a Homo sapiens 41 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011295&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53354728 242057801 CHEMBL3260727 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091082 CC1CN(CC(C)O1)c1nnc(N)nc1-c1ccccc1 InChI=1S/C15H19N5O/c1-10-8-20(9-11(2)21-10)14-13(17-15(16)19-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,16,17,19) FHMBLRWJWFTBHM-UHFFFAOYSA-N 50011296 CHEMBL3260728::US10988455, Example 2(iv) Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011296&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 53354627 242057802 CHEMBL3260728 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091083 Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1 InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2 YBPAWHNMCWLDIZ-UHFFFAOYSA-N 50011297 CHEMBL3260729::US9029393, 14 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011297&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846868 242057803 CHEMBL3260729 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091084 COC[C@H]1CCCN1C(=O)c1ccc2c(nn(C)c2c1)-c1cnc2ccc(cn12)C#N InChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1 DXNSJZNPTGVXTF-QGZVFWFLSA-N 50011298 CHEMBL3260730::US9029393, 101 Adenosine receptor A2a Homo sapiens 3.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011298&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46846866 242057804 CHEMBL3260730 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091085 Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2 BJPPZBFNKQTDEC-UHFFFAOYSA-N 50011299 CHEMBL3260731::US9029393, 113 Adenosine receptor A2a Homo sapiens 4.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 58522807 242057805 CHEMBL3260731 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091086 CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17) CYYQMAWUIRPCNW-UHFFFAOYSA-N 50176058 2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-9H-purin-6-amine::CHEMBL197669::ST-1535 Adenosine receptor A2a Homo sapiens 6.6 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176058&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9860294 104061732 CHEMBL197669 5613 ZINC01554291 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091087 CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17) HMSFWLUZEDMXMM-UHFFFAOYSA-N 50011300 CHEMBL2398482::US9133197, 2 Adenosine receptor A2a Homo sapiens 8.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011300&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 66678431 242057806 CHEMBL2398482 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091088 CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1 InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17) PLXYHOBIHWLDSZ-UHFFFAOYSA-N 50011301 CHEMBL2398486::US9133197, 7 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46912314 242057807 CHEMBL2398486 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091089 CC(C)n1cc(ccc1=O)-c1ncc(N)nc1-c1ccc(F)cc1 InChI=1S/C18H17FN4O/c1-11(2)23-10-13(5-8-16(23)24)17-18(22-15(20)9-21-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3,(H2,20,22) MNUJNGGYFNZUNB-UHFFFAOYSA-N 50394715 CHEMBL2165804 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50394715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50394715&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24810000 163343739 CHEMBL2165804 ZINC43175840 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091090 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A2a Homo sapiens 0.600000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091091 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)16-11-15(22-18(23-16)19-20-4-9-29-19)21-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) WVDKULPCDHAQIA-UHFFFAOYSA-N 21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40 Adenosine receptor A2a Homo sapiens 9.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21188&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768413 49689261 ZINC23360548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091092 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IGEDPAQDLDJKOH-UHFFFAOYSA-N 50237064 CHEMBL401895::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.400000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237064&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16654984 104056378 CHEMBL401895 ZINC29041664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091093 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30) JENSDTKXNVHSSN-UHFFFAOYSA-N 26256 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16j Adenosine receptor A2a Homo sapiens 0.400000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26256&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25074316 56464693 ZINC43200326 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091161 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 FLBKPDIBGNWXMT-NIQZGXKPSA-N 50150766 (2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-purin-9-yl]-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL186113::GW-328267 Adenosine receptor A2a Homo sapiens 9.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50150766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50150766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9869857 104039125 CHEMBL186113 ZINC03951024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091163 Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26) BCDASHXLAMCATI-UHFFFAOYSA-N 50316887 2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095488 Adenosine receptor A2a Homo sapiens 6.5 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316887&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25268841 104151248 CHEMBL1095488 ZINC43204862 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091164 Nc1nc2-c3cc(NCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C23H23N5O2/c24-23-26-20(15-4-2-1-3-5-15)19-21(27-23)18-14-16(6-7-17(18)22(19)29)25-8-9-28-10-12-30-13-11-28/h1-7,14,25H,8-13H2,(H2,24,26,27) DSTDWPJEOBCICR-UHFFFAOYSA-N 50316894 2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095172 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316894&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46861780 104151255 CHEMBL1095172 ZINC49071334 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091165 Nc1nc(nc2sc(CN3CCOCC3)cc12)-c1ccco1 InChI=1S/C15H16N4O2S/c16-13-11-8-10(9-19-3-6-20-7-4-19)22-15(11)18-14(17-13)12-2-1-5-21-12/h1-2,5,8H,3-4,6-7,9H2,(H2,16,17,18) WKCYYQAUFYIEID-UHFFFAOYSA-N 50011302 CHEMBL3222055 Adenosine receptor A2a Homo sapiens 29 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011302&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45279725 242057808 CHEMBL3222055 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091166 Nc1nc(nc2sc(CN3CCCC(F)(F)C3)cc12)-c1ccco1 InChI=1S/C16H16F2N4OS/c17-16(18)4-2-5-22(9-16)8-10-7-11-13(19)20-14(21-15(11)24-10)12-3-1-6-23-12/h1,3,6-7H,2,4-5,8-9H2,(H2,19,20,21) KYXCXHCFXDUHNI-UHFFFAOYSA-N 50011303 CHEMBL3222061 Adenosine receptor A2a Homo sapiens 6.6 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011303&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45278533 242057809 CHEMBL3222061 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091167 C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(nc2s1)-c1ccco1 InChI=1S/C18H22N4OS/c1-11-5-3-6-12(2)22(11)10-13-9-14-16(19)20-17(21-18(14)24-13)15-7-4-8-23-15/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,19,20,21)/t11-,12+ PVOIMUIDWFQGQH-TXEJJXNPSA-N 50011304 CHEMBL3222062 Adenosine receptor A2a Homo sapiens 5.3 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011304&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45279727 242057810 CHEMBL3222062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091168 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine Adenosine receptor A2a Homo sapiens 23400 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search CFF 6JRS,1GFZ,3DDW,3DDS,3DD1,6TV4,6JIU,6JIY,6JII,6JI0,7M6L,7M6A,1C8L,6JHN,4Y4D,7D7K,7D7L,1L7X,6M2W,7PBB,1L5Q,6QTL,5T9V,6SF9,6ICN,6ICP,5TAL,5TAT,5TAU,5TAP,3RFM,3G6M,6JRR,5TAM,5TAN,5TAV,5TAQ,2A3B,7TZC,5MZP,6UG4,5TAS,5TA3 2519 46511425 27732 CHEMBL113 DB00201 407 C07481 ZINC00001084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091169 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091170 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091171 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.800000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091172 Cc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1 InChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27) FCSLYUBEYDUDTP-UHFFFAOYSA-N 50252113 2-Furan-2-yl-7-[2-(2-methyl-quinolin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL520782 Adenosine receptor A2a Homo sapiens 2.4 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252113&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24894065 104105086 CHEMBL520782 ZINC11689564 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091194 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 BIXYYZIIJIXVFW-UUOKFMHZSA-N 50009525 2-CI Adenosine::2-Chloroadenosine::2-Chloroado::2-[6-Amino-2-(2-cyclopentyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL285819 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009525&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 8974 103922536 CHEMBL285819 ZINC26576183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091195 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091196 CC(C)(C)OC(=O)C1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25?,26?/m0/s1 UYYUHWSVKOGLPA-ZCCOPBOASA-N 50009263 (2S,3S,4R,5R)-5-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL75416::tert-butyl 1-[3-(1-amino-2-benzyloxycarbamoylethylcarboxamido)-2-hydroxy-4-phenylbutyl]tetrahydro-1H-2-pyrrolecarboxylate Adenosine receptor A2a Homo sapiens 6.4 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009263&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44314211 103922319 CHEMBL75416 ZINC28759913 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091197 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091198 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1 FLKLBEIFDXKPBA-XNIJJKJLSA-N 50364045 CHEMBL1950554 Adenosine receptor A2a Homo sapiens 270 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364045&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56618357 136968107 CHEMBL1950554 ZINC03932652 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091199 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1 FLEVIENZILQUKB-XTWQNQIISA-N 50364063 CHEMBL1950649 Adenosine receptor A2a Homo sapiens 0.500000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364063&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9805430 136968125 CHEMBL1950649 ZINC03966397 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091200 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091201 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 FLBKPDIBGNWXMT-NIQZGXKPSA-N 50150766 (2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-purin-9-yl]-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL186113::GW-328267 Adenosine receptor A2a Homo sapiens 46 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50150766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50150766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9869857 104039125 CHEMBL186113 ZINC03951024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091202 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1 InChI=1S/C38H44N10O6/c49-22-28-31(50)32(51)37(54-28)48-23-43-30-33(42-21-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25)45-34(46-35(30)48)36(52)40-17-18-41-38(53)44-26-14-19-47(20-15-26)29-13-7-8-16-39-29/h1-13,16,23,26-28,31-32,37,49-51H,14-15,17-22H2,(H,40,52)(H2,41,44,53)(H,42,45,46)/t28-,31-,32-,37-/m1/s1 ZHQNOECYYOPOGK-AAAKGCLZSA-N 50011305 CHEMBL3260724 Adenosine receptor A2a Homo sapiens 4.0 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011305&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 90655901 242057811 CHEMBL3260724 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091203 Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1 WUCQGGOGHZRELS-LSCFUAHRSA-N 50364043 CHEMBL1950553 Adenosine receptor A2a Homo sapiens 490 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364043&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910098 136968105 CHEMBL1950553 ZINC03966398 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091204 Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1 InChI=1S/C30H23FN8O/c31-22-11-13-24(14-12-22)33-30(40)34-25-17-15-23(16-18-25)32-28-26-29(36-27(35-28)21-9-5-2-6-10-21)39(38-37-26)19-20-7-3-1-4-8-20/h1-18H,19H2,(H,32,35,36)(H2,33,34,40) OLHVMYLPYPPJJK-UHFFFAOYSA-N 50264831 1-[4-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7-ylamino)-phenyl]-3-(4-fluorophenyl)-urea::CHEMBL487497 Adenosine receptor A2a Homo sapiens 167 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104834 104112698 CHEMBL487497 ZINC49877902 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091206 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A2a Homo sapiens 700 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091269 Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccco1 InChI=1S/C15H9N3O2/c16-15-17-12-8-4-1-2-5-9(8)14(19)11(12)13(18-15)10-6-3-7-20-10/h1-7H,(H2,16,17,18) KHOCZGQEVMEBSV-UHFFFAOYSA-N 50317007 2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095999 Adenosine receptor A2a Homo sapiens 0.100000 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50317007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50317007&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10445452 104151368 CHEMBL1095999 ZINC13982068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50091270 Nc1nc2-c3cc(CN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1 InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25) NZMLWAPHUUXPMQ-UHFFFAOYSA-N 50330987 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one dihydrochloride::CHEMBL1087189 Adenosine receptor A2a Homo sapiens 4.1 ChEMBL 10.1021/jm4011669 10.7270/Q28P621J 24164628 de Lera Ruiz, M; Lim, YH; Zheng, J Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330987&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46863665 123110102 CHEMBL1087189 ZINC49052919 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50089407 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1021/jm960482i 10.7270/Q2FQ9VQ2 8863790 Kim, YC; Ji, XD; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50103389 CCCCCCC#Cc1nc(N)c2nc(Br)n(CC#C)c2n1 InChI=1S/C16H18BrN5/c1-3-5-6-7-8-9-10-12-19-14(18)13-15(20-12)22(11-4-2)16(17)21-13/h2H,3,5-8,11H2,1H3,(H2,18,19,20) SFZVZANTMXWQKF-UHFFFAOYSA-N 50018688 CHEMBL3291301 Adenosine receptor A2a Homo sapiens 0.560000 ChEMBL 10.1016/j.bmc.2014.04.041 10.7270/Q2348MXH 24815000 Endo, K; Deguchi, K; Matsunaga, H; Tomaya, K; Yamada, K Yamasa Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50018688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50018688&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 57327005 103929780 CHEMBL3291301 ZINC26750219 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50111039 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1OC InChI=1S/C21H21N7O3/c1-29-15-8-7-13(11-17(15)30-2)5-3-9-27-19-14(12-23-27)20-24-18(16-6-4-10-31-16)26-28(20)21(22)25-19/h4,6-8,10-12H,3,5,9H2,1-2H3,(H2,22,25) YWQKIVSBEVCNDE-UHFFFAOYSA-N 50064702 7-(3-(3,4-dimethoxyphenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(3,4-Dimethoxy-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL69794 Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064702&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10645750 103959684 CHEMBL69794 ZINC13554846 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50111042 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50111056 Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23) AXDUXMMFIPBLRQ-UHFFFAOYSA-N 50064700 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenol::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenol::CHEMBL67026 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064700&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10362099 103959682 CHEMBL67026 ZINC00841354 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50111062 Nc1nc2n(CCCc3ccc4OCOc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O3/c21-20-24-18-13(19-23-17(25-27(19)20)15-4-2-8-28-15)10-22-26(18)7-1-3-12-5-6-14-16(9-12)30-11-29-14/h2,4-6,8-10H,1,3,7,11H2,(H2,21,24) ULSNKDYWRFKLBP-UHFFFAOYSA-N 50064696 7-(3-(benzo[d][1,3]dioxol-5-yl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-(3-Benzo[1,3]dioxol-5-yl-propyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL307748 Adenosine receptor A2a Homo sapiens 3.3 ChEMBL 10.1021/jm9708689 10.7270/Q2251H9K 9622554 Baraldi, PG; Cacciari, B; Spalluto, G; Bergonzoni, M; Dionisotti, S; Ongini, E; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10668865 103959678 CHEMBL307748 ZINC13554842 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140476 C[C@@H](Nc1nc(nc2[nH]c(C)c(C)c12)-c1ccccc1)c1ccccc1 InChI=1S/C22H22N4/c1-14-15(2)23-21-19(14)22(24-16(3)17-10-6-4-7-11-17)26-20(25-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H2,23,24,25,26)/t16-/m1/s1 UEHRRIBODAEUFE-MRXNPFEDSA-N 50051653 (5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-((R)-1-phenyl-ethyl)-amine::(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(1-phenyl-ethyl)-amine (DPEAP)::CHEMBL81336 Adenosine receptor A2a Homo sapiens 3876.0 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051653&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10712345 103948641 CHEMBL81336 ZINC13756606 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50140486 Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1 AQAMSAQCNMJLLH-UYAOXDASSA-N 50080290 (1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-indan-1-ol::CHEMBL441806 Adenosine receptor A2a Homo sapiens 3218 ChEMBL 10.1016/s0960-894x(99)00398-4 10.7270/Q2PR7V5N 10476879 Campbell, RM; Cartwright, C; Chen, W; Chen, Y; Duzic, E; Fu, JM; Loveland, M; Manning, R; McKibben, B; Pleiman, CM; Silverman, L; Trueheart, J; Webb, DR; Wilkinson, V; Witter, DJ; Xie, X; Castelhano, AL Cadus Pharmaceutical Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080290&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44317969 103980461 CHEMBL441806 ZINC26486558 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144660 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17) SJZFDIQTLVHZRM-UHFFFAOYSA-N 50082416 2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL344706 Adenosine receptor A2a Homo sapiens 2.6 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10779327 103982203 CHEMBL344706 ZINC13672023 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144669 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16) KHXVFMOMODNRAN-UHFFFAOYSA-N 50082417 8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL137879 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10659581 103982204 CHEMBL137879 ZINC13672021 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144670 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A2a Homo sapiens 1045 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144681 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 0.31 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144685 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A2a Homo sapiens 1221 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144687 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36) OLJJUIWQSVLKJD-UHFFFAOYSA-N 50082419 1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL139182 Adenosine receptor A2a Homo sapiens 1015 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082419&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10505816 103982206 CHEMBL139182 ZINC03926208 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144708 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35) PARJXHXDPQTXJY-UHFFFAOYSA-N 50082426 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL137950 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082426&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10696675 103982213 CHEMBL137950 ZINC13672041 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144710 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23) KWNNEOHJLFPMKY-UHFFFAOYSA-N 50082423 2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL423542 Adenosine receptor A2a Homo sapiens 0.18 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10737168 103982210 CHEMBL423542 ZINC13672043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144711 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35) ZAEGMWXQQUWCTO-UHFFFAOYSA-N 50082421 1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL422820 Adenosine receptor A2a Homo sapiens 124 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10791347 103982208 CHEMBL422820 ZINC03926206 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144712 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A2a Homo sapiens 185 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144714 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H21ClN8O2/c27-18-10-4-11-19(15-18)28-26(36)31-25-30-22-20(24-29-23(33-35(24)25)21-12-6-14-37-21)16-34(32-22)13-5-9-17-7-2-1-3-8-17/h1-4,6-8,10-12,14-16H,5,9,13H2,(H2,28,30,31,32,36) NVIPLOWTLXCBSA-UHFFFAOYSA-N 50082420 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342906 Adenosine receptor A2a Homo sapiens 202 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10601859 103982207 CHEMBL342906 ZINC13672045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50144721 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 141 ChEMBL 10.1021/jm991114s 10.7270/Q26972RX 10579811 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153322 Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O InChI=1S/C16H13N5O/c1-10-6-8-11(9-7-10)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18) MMPATMDCBUZKKZ-UHFFFAOYSA-N 50086131 4-Amino-2-p-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-p-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL273578 Adenosine receptor A2a Homo sapiens 85.8 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10755990 103985523 CHEMBL273578 ZINC13672226 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153334 O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1 InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23) JGLOHIDMAGTNKS-UHFFFAOYSA-N 50086140 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclohexylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL274267 Adenosine receptor A2a Homo sapiens 1370 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086140&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10642208 103985532 CHEMBL274267 ZINC13672072 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153341 Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21 InChI=1S/C15H12N6O/c16-10-7-4-8-11-12(10)18-13(17)14-19-21(15(22)20(11)14)9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18) IFVBJMJLUJWSRR-UHFFFAOYSA-N 50086141 4,6-Diamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL416354 Adenosine receptor A2a Homo sapiens 18.7 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086141&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10565553 103985533 CHEMBL416354 ZINC13806265 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153348 Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O InChI=1S/C15H10FN5O/c16-9-4-3-5-10(8-9)21-15(22)20-12-7-2-1-6-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18) NIZXSXMPQDEUGH-UHFFFAOYSA-N 50086127 4-Amino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL16643 Adenosine receptor A2a Homo sapiens 72 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086127&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10613770 103985519 CHEMBL16643 ZINC13672068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153356 Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25) WTPLIJMXPIILJW-UHFFFAOYSA-N 50086152 4-Amino-6-benzylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL274274 Adenosine receptor A2a Homo sapiens 6.5 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086152&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10317753 103985544 CHEMBL274274 ZINC13806263 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153363 Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24) PXJDBNRVKHKYTH-UHFFFAOYSA-N 50086132 4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclohexylamino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL279870 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10785815 103985524 CHEMBL279870 ZINC13672228 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153373 Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O InChI=1S/C16H13N5O/c1-10-5-4-6-11(9-10)21-16(22)20-13-8-3-2-7-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18) NTSOBNKXLPFPBT-UHFFFAOYSA-N 50086147 4-Amino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-m-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL416537 Adenosine receptor A2a Homo sapiens 14.6 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086147&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10541585 103985539 CHEMBL416537 ZINC13672066 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153375 COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18) HAYWSASVPZFTKJ-UHFFFAOYSA-N 50086143 4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL16416 Adenosine receptor A2a Homo sapiens 376 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086143&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10709852 103985535 CHEMBL16416 ZINC13580757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153395 Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C15H11N5O/c16-13-14-18-20(10-6-2-1-3-7-10)15(21)19(14)12-9-5-4-8-11(12)17-13/h1-9H,(H2,16,17) UNENFDNBTZLJMG-UHFFFAOYSA-N 50086153 4-Amino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::4-amino-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::CHEMBL278197 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1021/jm991096e 10.7270/Q2QR4WBG 10737748 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086153&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10778887 103985545 CHEMBL278197 ZINC13675593 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153405 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28) PMGIEKWQRPFFJL-UHFFFAOYSA-N 50086168 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)-N-phenylacetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-phenyl-acetamide::CHEMBL16677 Adenosine receptor A2a Homo sapiens 25.8 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086168&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9825550 103985560 CHEMBL16677 ZINC13679036 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153421 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCc2ccccc2)cc1 InChI=1S/C26H29N5O4/c1-3-14-30-24-22(25(33)31(15-4-2)26(30)34)28-23(29-24)19-10-12-20(13-11-19)35-17-21(32)27-16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,27,32)(H,28,29) BZAIRJUILWPFJR-UHFFFAOYSA-N 50086166 CHEMBL275605::N-Benzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-benzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 23.8 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086166&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9912816 103985558 CHEMBL275605 ZINC13679040 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153424 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 503.0 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153441 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 InChI=1S/C25H26N6O6/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)37-15-20(32)26-17-7-9-18(10-8-17)31(35)36/h5-12H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28) KFCWOAWPHAAPIH-UHFFFAOYSA-N 50086167 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-nitro-phenyl)-acetamide (0.43CH3OH)::CHEMBL16787 Adenosine receptor A2a Homo sapiens 70 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086167&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10839296 103985559 CHEMBL16787 C02125 ZINC13806302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153442 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 InChI=1S/C25H26ClN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) YDLQRGLBZOEJGX-UHFFFAOYSA-N 50086164 CHEMBL275427::N-(4-Chloro-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide 0.26(CH3)2CO::N-(4-chlorophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 187 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086164&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10720065 103985556 CHEMBL275427 ZINC13679032 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153443 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(=O)OC)cc1 InChI=1S/C27H29N5O6/c1-4-14-31-24-22(25(34)32(15-5-2)27(31)36)29-23(30-24)17-8-12-20(13-9-17)38-16-21(33)28-19-10-6-18(7-11-19)26(35)37-3/h6-13H,4-5,14-16H2,1-3H3,(H,28,33)(H,29,30) KRCHPUAHJLFBTQ-UHFFFAOYSA-N 50086172 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzoic acid methyl ester::CHEMBL16741 Adenosine receptor A2a Homo sapiens 3100 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086172&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9936467 103985564 CHEMBL16741 ZINC13806287 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153446 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C25H26FN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) QZRYHFVTTSQWHO-UHFFFAOYSA-N 50086182 2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)-N-(4-fluorophenyl)acetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-fluoro-phenyl)-acetamide::CHEMBL16929 Adenosine receptor A2a Homo sapiens 16.6 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086182&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10767043 103985574 CHEMBL16929 ZINC13679034 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153449 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 InChI=1S/C26H28N6O5/c1-5-13-30-22-20(25(36)31(14-6-2)26(30)37)27-21(28-22)18-10-7-17(8-11-18)9-12-19(33)29-32-23(34)15(3)16(4)24(32)35/h7-12H,5-6,13-14H2,1-4H3,(H,27,28)(H,29,33) BVIGNHBNZOHTOP-UHFFFAOYSA-N 50086163 CHEMBL17294::N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylamide Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086163&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10839228 103985555 CHEMBL17294 ZINC13806305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153452 OC(=O)C=Cc1ccc(cc1)-c1nc2n(CC3CCCCC3)c(=O)n(CC3CCCCC3)c(=O)c2[nH]1 InChI=1S/C28H34N4O4/c33-23(34)16-13-19-11-14-22(15-12-19)25-29-24-26(30-25)31(17-20-7-3-1-4-8-20)28(36)32(27(24)35)18-21-9-5-2-6-10-21/h11-16,20-21H,1-10,17-18H2,(H,29,30)(H,33,34) LERWZBXJAOSNBN-UHFFFAOYSA-N 50086185 3-[4-(1,3-Bis-cyclohexylmethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::CHEMBL17103 Adenosine receptor A2a Homo sapiens 1518 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086185&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9957239 103985577 CHEMBL17103 ZINC01544217 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153465 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) FIQGIOAELHTLHM-UHFFFAOYSA-N 50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC Adenosine receptor A2a Homo sapiens 18.4 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search XAC 3REY 5697 104085140 CHEMBL273094 404 ZINC28763883 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153468 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) ZKUCFFYOQOJLGT-UHFFFAOYSA-N 50086173 CHEMBL17002::N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (0.23H2O)::N-(4-acetylphenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 112 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5139184 103985565 CHEMBL17002 3287 ZINC01490517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153488 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25) QTMMGCYGCFXBFI-UHFFFAOYSA-N 50008405 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetic acid::CHEMBL27041::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid::[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A2a Homo sapiens 595 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50008405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50008405&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 126079 103921566 CHEMBL27041 451 ZINC05114736 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153493 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1ccc(OCC(O)=O)cc1 InChI=1S/C21H26N4O5/c1-3-5-11-24-19-17(20(28)25(21(24)29)12-6-4-2)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23)(H,26,27) XOJJNLCMZUFINT-UHFFFAOYSA-N 50037422 CHEMBL17123::[4-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A2a Homo sapiens 2540 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10387088 103944969 CHEMBL17123 ZINC12405711 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153531 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(O)=O)cc1 InChI=1S/C26H27N5O6/c1-3-13-30-23-21(24(33)31(14-4-2)26(30)36)28-22(29-23)16-7-11-19(12-8-16)37-15-20(32)27-18-9-5-17(6-10-18)25(34)35/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)(H,34,35) TVQXEDLVTCLFMN-UHFFFAOYSA-N 50086169 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzoic acid (0.60CH2CL2)::CHEMBL16931 Adenosine receptor A2a Homo sapiens 39 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086169&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9935943 103985561 CHEMBL16931 ZINC13806296 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153534 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 InChI=1S/C25H26IN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) PSKLSICGXZNEBV-UHFFFAOYSA-N 50086165 2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)-N-(4-iodophenyl)acetamide::2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-iodo-phenyl)-acetamide (0.60CH3OH)::CHEMBL278039 Adenosine receptor A2a Homo sapiens 5140 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086165&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11801496 103985557 CHEMBL278039 ZINC34800559 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153545 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C26H26F3N5O4/c1-3-13-33-23-21(24(36)34(14-4-2)25(33)37)31-22(32-23)16-5-11-19(12-6-16)38-15-20(35)30-18-9-7-17(8-10-18)26(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,30,35)(H,31,32) GZUNHVCICSYXEN-UHFFFAOYSA-N 50086174 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-(4-trifluoromethyl-phenyl)-acetamide::CHEMBL277386 Adenosine receptor A2a Homo sapiens 238 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086174&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10792296 103985566 CHEMBL277386 ZINC34800556 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153549 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 InChI=1S/C33H35N5O4/c1-3-19-37-31-29(32(40)38(20-4-2)33(37)41)34-30(35-31)26-15-17-27(18-16-26)42-23-28(39)36(21-24-11-7-5-8-12-24)22-25-13-9-6-10-14-25/h5-18H,3-4,19-23H2,1-2H3,(H,34,35) HMEDGXBEDQKBKZ-UHFFFAOYSA-N 50086176 CHEMBL275149::N,N-Dibenzyl-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N,N-dibenzyl-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 642 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086176&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9850900 103985568 CHEMBL275149 ZINC34800557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153552 OC(=O)COc1ccc(cc1)-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1 InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25) CZKQVHBXRSZWAF-UHFFFAOYSA-N 50037435 CHEMBL16724::[4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid Adenosine receptor A2a Homo sapiens 2370 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037435&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 541903 103944982 CHEMBL16724 ZINC12405707 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153557 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NN2C(=O)C(C)=C(C)C2=O)cc1 InChI=1S/C25H28N6O6/c1-5-11-29-21-19(24(35)30(12-6-2)25(29)36)26-20(27-21)16-7-9-17(10-8-16)37-13-18(32)28-31-22(33)14(3)15(4)23(31)34/h7-10H,5-6,11-13H2,1-4H3,(H,26,27)(H,28,32) NIXWFDNYUWLKLC-UHFFFAOYSA-N 50086179 CHEMBL17173::N-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A2a Homo sapiens 1970 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086179&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9936058 103985571 CHEMBL17173 ZINC01490469 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153565 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(N)=O)cc1 InChI=1S/C26H28N6O5/c1-3-13-31-24-21(25(35)32(14-4-2)26(31)36)29-23(30-24)17-7-11-19(12-8-17)37-15-20(33)28-18-9-5-16(6-10-18)22(27)34/h5-12H,3-4,13-15H2,1-2H3,(H2,27,34)(H,28,33)(H,29,30) OOOUJHKGHPENGG-UHFFFAOYSA-N 50086171 4-{2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-benzamide::CHEMBL275360 Adenosine receptor A2a Homo sapiens 39 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086171&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9827467 103985563 CHEMBL275360 ZINC13806290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153566 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C=CC(O)=O)cc1 InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26) UGCOFEOEBHUEHA-UHFFFAOYSA-N 50037440 (E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid::CHEMBL16997 Adenosine receptor A2a Homo sapiens 190 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037440&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6439089 103944987 CHEMBL16997 443 ZINC05114734 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153571 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2cccc(c2)C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-13-31-25-23(26(35)32(14-5-2)27(31)36)29-24(30-25)18-9-11-21(12-10-18)37-16-22(34)28-20-8-6-7-19(15-20)17(3)33/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,34)(H,29,30) DSQNPGQGZQBMQL-UHFFFAOYSA-N 50086187 CHEMBL16534::N-(3-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A2a Homo sapiens 58.9 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086187&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9870719 103985579 CHEMBL16534 ZINC13806284 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153572 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C25H26BrN5O4/c1-3-13-30-23-21(24(33)31(14-4-2)25(30)34)28-22(29-23)16-5-11-19(12-6-16)35-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) GNWZTRBDJOQWCR-UHFFFAOYSA-N 50086184 CHEMBL17003::N-(4-Bromo-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-bromophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 1640 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086184&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10840167 103985576 CHEMBL17003 ZINC34800558 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50153582 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccccc2C(C)=O)cc1 InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)18-10-12-19(13-11-18)37-16-22(34)28-21-9-7-6-8-20(21)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) SZTYGIVWLSLJRO-UHFFFAOYSA-N 50086186 CHEMBL17341::N-(2-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide Adenosine receptor A2a Homo sapiens 431.0 ChEMBL 10.1021/jm990421v 10.7270/Q2M044NW 10737749 Kim, YC; Ji, X; Melman, N; Linden, J; Jacobson, KA National Institute of Diabetes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086186&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9870718 103985578 CHEMBL17341 ZINC01490518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50150890 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ FWLDDFYHEQMIGG-MDZDMXLPSA-N 50084860 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2)::CHEMBL413079 Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1021/jm9911480 10.7270/Q21C1W36 10669571 Sauer, R; Maurinsh, J; Reith, U; Fulle, F; Klotz, KN; Muller, CE University of Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10046145 103984388 CHEMBL413079 5610 ZINC03822842 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50150894 COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ FWLDDFYHEQMIGG-MDZDMXLPSA-N 50084860 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2)::CHEMBL413079 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1021/jm9911480 10.7270/Q21C1W36 10669571 Sauer, R; Maurinsh, J; Reith, U; Fulle, F; Klotz, KN; Muller, CE University of Würzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10046145 103984388 CHEMBL413079 5610 ZINC03822842 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50152077 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A2a Homo sapiens 1045 ChEMBL 10.1016/s0960-894x(99)00674-5 10.7270/Q2QV3KQB 10698437 Baraldi, PG; Cacciari, B; Romagnoli, R; Varani, K; Merighi, S; Gessi, S; Borea, PA; Leung, E; Hickey, SL; Spalluto, G Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50152079 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 141 ChEMBL 10.1016/s0960-894x(99)00674-5 10.7270/Q2QV3KQB 10698437 Baraldi, PG; Cacciari, B; Romagnoli, R; Varani, K; Merighi, S; Gessi, S; Borea, PA; Leung, E; Hickey, SL; Spalluto, G Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169701 Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H12Br3N7O/c19-11-7-13(21)12(20)6-9(11)3-4-27-8-10-15(25-27)24-18(22)28-17(10)23-16(26-28)14-2-1-5-29-14/h1-2,5-8H,3-4H2,(H2,22,24,25) QYNQDOYOHRANSN-UHFFFAOYSA-N 50094678 2-Furan-2-yl-8-(2,4,5-tribromo-benzyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL144972 Adenosine receptor A2a Homo sapiens 348 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094678&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10769581 103992554 CHEMBL144972 ZINC27547644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169706 Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C17H11ClN8O2/c18-9-3-1-4-10(7-9)20-17(27)23-16-22-13-11(8-19-24-13)15-21-14(25-26(15)16)12-5-2-6-28-12/h1-8H,(H3,19,20,22,23,24,27) CSGAYPUTEQNSDK-UHFFFAOYSA-N 50094683 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL142562 Adenosine receptor A2a Homo sapiens 248 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9843606 103992559 CHEMBL142562 ZINC13835601 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169724 COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H18N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h3-9,11-12H,1,10H2,2H3,(H2,22,24,25,26,30) DQQUXSVJOCRLLI-UHFFFAOYSA-N 50085371 1-(8-Allyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL304726 Adenosine receptor A2a Homo sapiens 176 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10765059 103984840 CHEMBL304726 ZINC13672025 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169731 Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23) KWNNEOHJLFPMKY-UHFFFAOYSA-N 50082423 2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL423542 Adenosine receptor A2a Homo sapiens 0.16 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10737168 103982210 CHEMBL423542 ZINC13672043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169735 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169737 CC(C)=CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H19ClN8O2/c1-13(2)8-9-30-12-16-18(28-30)26-21(27-22(32)24-15-6-3-5-14(23)11-15)31-20(16)25-19(29-31)17-7-4-10-33-17/h3-8,10-12H,9H2,1-2H3,(H2,24,26,27,28,32) FKTKRJGYATWTBW-UHFFFAOYSA-N 50094685 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342500 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094685&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9868991 103992561 CHEMBL342500 ZINC13672039 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169749 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29) DWZXGZAHYQTPLP-UHFFFAOYSA-N 50094692 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea::CHEMBL141550 Adenosine receptor A2a Homo sapiens 9.5 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094692&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10225178 103992568 CHEMBL141550 ZINC00594328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169754 COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27) FQZFDCXROFCGHP-UHFFFAOYSA-N 50094696 1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL145767 Adenosine receptor A2a Homo sapiens 520 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9800549 103992572 CHEMBL145767 ZINC13554867 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169755 COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36) OLJJUIWQSVLKJD-UHFFFAOYSA-N 50082419 1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL139182 Adenosine receptor A2a Homo sapiens 101 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082419&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10505816 103982206 CHEMBL139182 ZINC03926208 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169756 Nc1nc2n[nH]cc2c2nc(nn12)-c1ccco1 InChI=1S/C10H7N7O/c11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6/h1-4H,(H3,11,12,14,15) YKWJNVFPKLFRRE-UHFFFAOYSA-N 50051230 2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL276738 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10377027 103948228 CHEMBL276738 ZINC13835600 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169761 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H16Br3ClN8O2/c26-17-11-19(28)18(27)9-13(17)6-7-36-12-16-21(34-36)32-24(33-25(38)30-15-4-1-3-14(29)10-15)37-23(16)31-22(35-37)20-5-2-8-39-20/h1-5,8-12H,6-7H2,(H2,30,32,33,34,38) WMUVQLDTRXROGS-UHFFFAOYSA-N 50094681 1-(3-Chloro-phenyl)-3-{2-furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl}-urea::CHEMBL341852 Adenosine receptor A2a Homo sapiens 3600 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094681&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10605011 103992557 CHEMBL341852 ZINC95611437 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169769 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169771 Clc1cccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H21ClN8O2/c27-18-10-4-11-19(15-18)28-26(36)31-25-30-22-20(24-29-23(33-35(24)25)21-12-6-14-37-21)16-34(32-22)13-5-9-17-7-2-1-3-8-17/h1-4,6-8,10-12,14-16H,5,9,13H2,(H2,28,30,31,32,36) NVIPLOWTLXCBSA-UHFFFAOYSA-N 50082420 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL342906 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10601859 103982207 CHEMBL342906 ZINC13672045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169773 Clc1cccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C29H21ClN8O2/c30-20-9-4-10-21(16-20)31-29(39)34-28-33-25-23(27-32-26(36-38(27)28)24-12-5-15-40-24)17-37(35-25)14-13-19-8-3-7-18-6-1-2-11-22(18)19/h1-12,15-17H,13-14H2,(H2,31,33,34,35,39) GQCGUWPDYGWRML-UHFFFAOYSA-N 50094698 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::CHEMBL145123 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094698&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10626463 103992574 CHEMBL145123 ZINC27548141 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169782 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-9-29-12-15-17(27-29)25-20(26-21(31)23-14-7-4-6-13(22)11-14)30-19(15)24-18(28-30)16-8-5-10-32-16/h4-8,10-12H,2-3,9H2,1H3,(H2,23,25,26,27,31) OIVZKXGLPGFSTR-UHFFFAOYSA-N 50094699 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL423934 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10647227 103992575 CHEMBL423934 ZINC13472319 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169783 CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C12H11N7O/c1-2-18-6-7-9(16-18)15-12(13)19-11(7)14-10(17-19)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,15,16) KHXVFMOMODNRAN-UHFFFAOYSA-N 50082417 8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL137879 Adenosine receptor A2a Homo sapiens 1.95 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10659581 103982204 CHEMBL137879 ZINC13672021 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169786 CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19) NXSARBYAOXIQJA-UHFFFAOYSA-N 50094688 2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL315150 Adenosine receptor A2a Homo sapiens 0.78 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094688&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10852506 103992564 CHEMBL315150 ZINC12405950 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169791 COc1ccc(NC(=O)Nc2nc3nn(CC=C(C)C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C23H22N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-10,12-13H,11H2,1-3H3,(H2,24,26,27,28,32) AISZDPKOHKVRLJ-UHFFFAOYSA-N 50094695 1-(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL142926 Adenosine receptor A2a Homo sapiens 1025 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9868763 103992571 CHEMBL142926 ZINC13672037 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169793 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A2a Homo sapiens 1040 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169798 COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1 InChI=1S/C22H22N8O3/c1-22(2,3)29-12-15-17(27-29)25-20(26-21(31)23-13-7-9-14(32-4)10-8-13)30-19(15)24-18(28-30)16-6-5-11-33-16/h5-12H,1-4H3,(H2,23,25,26,27,31) KFCJVCKIWKNMNB-UHFFFAOYSA-N 50094686 1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL357663 Adenosine receptor A2a Homo sapiens 545 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094686&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9824812 103992562 CHEMBL357663 ZINC13672029 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169801 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A2a Homo sapiens 1220 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169806 CCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-8-10(17-19)16-13(14)20-12(8)15-11(18-20)9-4-3-6-21-9/h3-4,6-7H,2,5H2,1H3,(H2,14,16,17) SJZFDIQTLVHZRM-UHFFFAOYSA-N 50082416 2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL344706 Adenosine receptor A2a Homo sapiens 2.51 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10779327 103982203 CHEMBL344706 ZINC13672023 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169808 CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18) NSGXVWJIQHDYOE-UHFFFAOYSA-N 50051242 8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL16894 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051242&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10637742 103948240 CHEMBL16894 ZINC12405949 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169809 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A2a Homo sapiens 80 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169816 Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35) PARJXHXDPQTXJY-UHFFFAOYSA-N 50082426 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL137950 Adenosine receptor A2a Homo sapiens 105 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082426&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10696675 103982213 CHEMBL137950 ZINC13672041 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169817 Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O/c23-22-25-19-17(21-24-20(27-29(21)22)18-9-4-12-30-18)13-28(26-19)11-10-15-7-3-6-14-5-1-2-8-16(14)15/h1-9,12-13H,10-11H2,(H2,23,25,26) KVPYVHAQCCBFJP-UHFFFAOYSA-N 50094684 2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL146658 Adenosine receptor A2a Homo sapiens 896.0 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094684&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10834513 103992560 CHEMBL146658 ZINC13672047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169823 CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C14H15N7O/c1-14(2,3)20-7-8-10(18-20)17-13(15)21-12(8)16-11(19-21)9-5-4-6-22-9/h4-7H,1-3H3,(H2,15,17,18) RWMLPEOKXLBPHX-UHFFFAOYSA-N 50094693 8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL414620 Adenosine receptor A2a Homo sapiens 45 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094693&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10661707 103992569 CHEMBL414620 ZINC13672027 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169828 Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) MSJODEOZODDVGW-UHFFFAOYSA-N 50004566 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine::9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943)::9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine::9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine::CGS-15943::CHEMBL16687::CHEMBL268431::Nonnucleoside analog, 4 Adenosine receptor A2a Homo sapiens 0.43 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50004566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50004566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UX2 7NZY 2690 103918155 CHEMBL16687CHEMBL268431 384 ZINC03872013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169829 CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-21(2,3)29-11-14-16(27-29)25-19(26-20(31)23-13-7-4-6-12(22)10-13)30-18(14)24-17(28-30)15-8-5-9-32-15/h4-11H,1-3H3,(H2,23,25,26,27,31) BKGNWAOTMICOMA-UHFFFAOYSA-N 50094689 1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-tert-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL344724 Adenosine receptor A2a Homo sapiens 796 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094689&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9890003 103992565 CHEMBL344724 ZINC13672031 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169837 COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35) ZAEGMWXQQUWCTO-UHFFFAOYSA-N 50082421 1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL422820 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10791347 103982208 CHEMBL422820 ZINC03926206 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169839 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A2a Homo sapiens 1390 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169840 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 0.34 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169841 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15) PKVBGKUACUZPER-UHFFFAOYSA-N 50094701 2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL342059 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094701&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10587109 103992577 CHEMBL342059 ZINC13672019 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169843 CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H21ClN8O2/c1-13(2)8-9-30-12-16-18(28-30)26-21(27-22(32)24-15-6-3-5-14(23)11-15)31-20(16)25-19(29-31)17-7-4-10-33-17/h3-7,10-13H,8-9H2,1-2H3,(H2,24,26,27,28,32) SFQLGHQUUPLEHJ-UHFFFAOYSA-N 50094680 1-(3-Chloro-phenyl)-3-[2-furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL359044 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094680&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11798368 103992556 CHEMBL359044 ZINC13672033 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169844 COc1ccc(NC(=O)Nc2nc3nn(CCc4cccc5ccccc45)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C30H24N8O3/c1-40-22-13-11-21(12-14-22)31-30(39)34-29-33-26-24(28-32-27(36-38(28)29)25-10-5-17-41-25)18-37(35-26)16-15-20-8-4-7-19-6-2-3-9-23(19)20/h2-14,17-18H,15-16H2,1H3,(H2,31,33,34,35,39) VQYJAIHIXOQQPT-UHFFFAOYSA-N 50094697 1-[2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL145734 Adenosine receptor A2a Homo sapiens 3260 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10745111 103992573 CHEMBL145734 ZINC27547336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169848 CC(C)=CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C15H15N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-5,7-8H,6H2,1-2H3,(H2,16,18,19) PTQDCTWMECJFBE-UHFFFAOYSA-N 50094682 2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-(3-methyl-but-2-enyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL145623 Adenosine receptor A2a Homo sapiens 0.8 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094682&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10852375 103992558 CHEMBL145623 ZINC13672035 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169852 COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H19Br3N8O3/c1-39-16-6-4-15(5-7-16)30-26(38)33-25-32-22-17(24-31-23(35-37(24)25)21-3-2-10-40-21)13-36(34-22)9-8-14-11-19(28)20(29)12-18(14)27/h2-7,10-13H,8-9H2,1H3,(H2,30,32,33,34,38) LZFKHGMOYUQWQX-UHFFFAOYSA-N 50094700 1-{2-Furan-2-yl-8-[2-(2,4,5-tribromo-phenyl)-ethyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl}-3-(4-methoxy-phenyl)-urea::CHEMBL359379 Adenosine receptor A2a Homo sapiens 2030 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094700&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10580789 103992576 CHEMBL359379 ZINC95612337 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169858 COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C23H24N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-9,12-14H,10-11H2,1-3H3,(H2,24,26,27,28,32) ZVVJMBSLHODZLV-UHFFFAOYSA-N 50094679 1-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea::CHEMBL358735 Adenosine receptor A2a Homo sapiens 65 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094679&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11798195 103992555 CHEMBL358735 ZINC03926205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169866 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29) YCBRJFDQRREGOZ-UHFFFAOYSA-N 50094694 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL144979 Adenosine receptor A2a Homo sapiens 9.4 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094694&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10296638 103992570 CHEMBL144979 ZINC00594327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50169867 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28) XMSLNRUNVUAOJS-UHFFFAOYSA-N 50094690 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL344501 Adenosine receptor A2a Homo sapiens 1195 ChEMBL 10.1021/jm001047y 10.7270/Q2D21WWT 11123985 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094690&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9822747 103992566 CHEMBL344501 ZINC13472314 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172188 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3 DBROFPXBIMMIMF-UHFFFAOYSA-N 50059376 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester::CHEMBL52735::L-249313 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059376&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4355631 103955217 CHEMBL52735 ZINC05343158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172189 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCCC1)-c1cccc(F)c1 InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25) WGYABTABLJZAOC-UHFFFAOYSA-N 50095781 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cycloheptanol::CHEMBL296389 Adenosine receptor A2a Homo sapiens 19 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095781&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10691124 103993417 CHEMBL296389 ZINC13861459 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172193 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccco1 InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21) PGKBTOTUGNMPMG-UHFFFAOYSA-N 50095786 1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethynyl)-cyclohexanol::CHEMBL50051 Adenosine receptor A2a Homo sapiens 11 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095786&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10544916 103993421 CHEMBL50051 ZINC13861446 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172194 CCC(O)(CC)C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1 InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23) NPLLJKJORHIIMF-UHFFFAOYSA-N 50095784 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-3-ethyl-pent-1-yn-3-ol::CHEMBL51192 Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095784&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10665761 103993419 CHEMBL51192 ZINC13861461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172198 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1 InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23) LPAMCBPWGRTOCP-UHFFFAOYSA-N 50095790 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanol::CHEMBL297685 Adenosine receptor A2a Homo sapiens 9.8 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095790&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9841364 103993424 CHEMBL297685 ZINC00602916 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172205 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+ UQGGPCQNHJCOPS-PKNBQFBNSA-N 50006710 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; compound with 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL1795043::CHEMBL27508::KF-17837 Adenosine receptor A2a Homo sapiens 71.0 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50006710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50006710&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6448585 103920033 CHEMBL1795043CHEMBL27508 ZINC03777854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172206 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) PJFMAVHETLRJHJ-UHFFFAOYSA-N 82015 1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione::8-Phenyltheophylline::CAS_1922::CHEMBL62350::NSC_1922 Adenosine receptor A2a Homo sapiens 454 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82015&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1922 131342589 CHEMBL62350 ZINC06530699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172208 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1 OPLOPFHUHFGKMJ-JXOMPUQVSA-N 50079652 (E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::(R)-1-(2-(2-hydroxyethyl)piperidin-1-yl)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one::1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::CHEMBL440115::FK-453 Adenosine receptor A2a Homo sapiens 11300 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079652&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6439091 103971794 CHEMBL440115 5606 ZINC01486608 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172215 COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3 DBROFPXBIMMIMF-UHFFFAOYSA-N 50059376 9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester::CHEMBL52735::L-249313 Adenosine receptor A2a Homo sapiens 27500 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059376&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4355631 103955217 CHEMBL52735 ZINC05343158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172216 OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1 OPLOPFHUHFGKMJ-JXOMPUQVSA-N 50079652 (E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::(R)-1-(2-(2-hydroxyethyl)piperidin-1-yl)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one::1-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-propenone::CHEMBL440115::FK-453 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079652&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6439091 103971794 CHEMBL440115 5606 ZINC01486608 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172222 CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+ UQGGPCQNHJCOPS-PKNBQFBNSA-N 50006710 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione; compound with 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL1795043::CHEMBL27508::KF-17837 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50006710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50006710&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6448585 103920033 CHEMBL1795043CHEMBL27508 ZINC03777854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172226 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1ccccc1F InChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24) OGMPGZVDXMCVJD-UHFFFAOYSA-N 50095788 1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL301512 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095788&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10618828 103993423 CHEMBL301512 ZINC13861449 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172227 Cn1c(nc2c(N)nc(nc12)C#CC(C)(C)O)-c1cccc(F)c1 InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21) UWDBBNIVTAVDGD-UHFFFAOYSA-N 50095778 4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol::CHEMBL300624 Adenosine receptor A2a Homo sapiens 9.1 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10616023 103993415 CHEMBL300624 ZINC13861460 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172229 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1 InChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24) PSJFQTPTZIHBKW-UHFFFAOYSA-N 50095793 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL48153 Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095793&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9842054 103993425 CHEMBL48153 ZINC13861450 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50172233 Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(c1)C#N InChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25) KEDWXTLTOUMRQH-UHFFFAOYSA-N 50095787 3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methyl-9H-purin-8-yl]-benzonitrile::CHEMBL49925 Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1021/jm990499b 10.7270/Q2R49Q0X 11170626 Harada, H; Asano, O; Hoshino, Y; Yoshikawa, S; Matsukura, M; Kabasawa, Y; Niijima, J; Kotake, Y; Watanabe, N; Kawata, T; Inoue, T; Horizoe, T; Yasuda, N; Minami, H; Nagata, K; Murakami, M; Nagaoka, J; Kobayashi, S; Tanaka, I; Abe, S Eisai Company, Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095787&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10761800 103993422 CHEMBL49925 ZINC13861454 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162841 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 21000 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162842 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18) MVHJGGYPZDDBQV-UHFFFAOYSA-N 50091117 2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL320805 Adenosine receptor A2a Homo sapiens 331.0 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091117&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10491577 103989503 CHEMBL320805 ZINC13672178 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162843 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21 InChI=1S/C22H22N4/c1-15-7-6-10-17(13-15)26-14-19-18-11-4-5-12-20(18)24-22(21(19)25-26)23-16-8-2-3-9-16/h4-7,10-14,16H,2-3,8-9H2,1H3,(H,23,24) IYHWVIKQMKGZOE-UHFFFAOYSA-N 50091110 CHEMBL107414::Cyclopentyl-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091110&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10569328 103989498 CHEMBL107414 ZINC13672205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162850 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21 InChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24) UPWBBBQTTVWBOF-UHFFFAOYSA-N 50091122 CHEMBL317270::Cyclopentyl-[2-(3-fluoro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl]-amine Adenosine receptor A2a Homo sapiens 2210 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091122&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11791862 103989508 CHEMBL317270 ZINC13809638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162852 Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21 InChI=1S/C22H21FN4/c23-15-7-6-10-17(13-15)27-14-19-18-11-4-5-12-20(18)25-22(21(19)26-27)24-16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2,(H,24,25) JDAANLOCFREMRX-UHFFFAOYSA-N 50091124 CHEMBL104177::Cyclohexyl-[2-(3-fluoro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-yl]-amine Adenosine receptor A2a Homo sapiens 5750 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091124&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10760994 103989510 CHEMBL104177 ZINC13672198 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162860 Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NJFGXLMDWIXVEW-UHFFFAOYSA-N 50091130 2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL107446 Adenosine receptor A2a Homo sapiens 3750 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091130&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10612371 103989516 CHEMBL107446 ZINC13672183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162861 Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1 InChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19) SKBLLPVNHBODIG-UHFFFAOYSA-N 50091131 2-(3-Fluoro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine::CHEMBL321441 Adenosine receptor A2a Homo sapiens 49.5 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10084926 103989517 CHEMBL321441 ZINC13672187 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162868 Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21 InChI=1S/C22H22N4/c1-15-8-2-7-13-20(15)26-14-18-17-11-5-6-12-19(17)24-22(21(18)25-26)23-16-9-3-4-10-16/h2,5-8,11-14,16H,3-4,9-10H2,1H3,(H,23,24) YXHTYDSOIVPINR-UHFFFAOYSA-N 50091132 CHEMBL419002::Cyclopentyl-(2-o-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 329 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10641062 103989518 CHEMBL419002 ZINC13672204 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162872 Cc1ccccc1-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-6-2-5-9-15(11)21-10-13-12-7-3-4-8-14(12)19-17(18)16(13)20-21/h2-10H,1H3,(H2,18,19) AHOSTJOZMPTPLO-UHFFFAOYSA-N 50091111 2-o-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::CHEMBL107637 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091111&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10492556 103989499 CHEMBL107637 ZINC13672182 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162874 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23) LJFRBCQBJFKUBA-UHFFFAOYSA-N 50091114 CHEMBL320741::N-(2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-acetamide::N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2400 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091114&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10518459 103989501 CHEMBL320741 ZINC13672211 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162877 C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C21H20N4/c1-2-10-16(11-3-1)25-14-18-17-12-6-7-13-19(17)23-21(20(18)24-25)22-15-8-4-5-9-15/h1-3,6-7,10-15H,4-5,8-9H2,(H,22,23) GUVZSNZDGRSOLX-UHFFFAOYSA-N 50091129 CHEMBL106520::Cyclopentyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 849 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091129&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10471721 103989515 CHEMBL106520 ZINC13672202 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162879 O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20) ISMLHIIGSRUCOQ-UHFFFAOYSA-N 50218922 2-Phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one::CHEMBL241987::cid_4962866 Adenosine receptor A2a Homo sapiens 8600 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218922&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4962866 104092381 CHEMBL241987 ZINC03888482 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162884 Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1 InChI=1S/C16H11ClN4/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19) NLQSUGLAMHEOIM-UHFFFAOYSA-N 50091135 2-(4-Chloro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine::CHEMBL104178 Adenosine receptor A2a Homo sapiens 11200 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091135&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10613752 103989521 CHEMBL104178 ZINC13672190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162894 C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1 InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25) FDAGQFXWOKXHTR-UHFFFAOYSA-N 50091126 Benzyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine::CHEMBL107116 Adenosine receptor A2a Homo sapiens 5400 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091126&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10617844 103989512 CHEMBL107116 ZINC13672207 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162897 Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21 InChI=1S/C23H24N4/c1-16-8-7-11-18(14-16)27-15-20-19-12-5-6-13-21(19)25-23(22(20)26-27)24-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,24,25) IQHJLENLTHRSPD-UHFFFAOYSA-N 50091139 CHEMBL442005::Cyclohexyl-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 11400 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091139&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10570266 103989524 CHEMBL442005 ZINC13672194 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162899 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 337.0 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162907 Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H11ClN4/c17-10-6-7-14-12(8-10)13-9-21(11-4-2-1-3-5-11)20-15(13)16(18)19-14/h1-9H,(H2,18,19) BOZNYPXCUUMRPN-UHFFFAOYSA-N 50091133 8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::CHEMBL322263 Adenosine receptor A2a Homo sapiens 5750 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091133&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10565773 103989519 CHEMBL322263 ZINC13672180 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162908 C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C22H22N4/c1-3-9-16(10-4-1)23-22-21-19(18-13-7-8-14-20(18)24-22)15-26(25-21)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,23,24) WNXQEGFQSVSQOB-UHFFFAOYSA-N 50091123 CHEMBL104115::Cyclohexyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 3800 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091123&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10759742 103989509 CHEMBL104115 ZINC13672192 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162909 COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NHWOTOQPRYZNAV-UHFFFAOYSA-N 50091128 2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL105913 Adenosine receptor A2a Homo sapiens 3700 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10732242 103989514 CHEMBL105913 ZINC13672189 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162915 C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26) CYSDHZJPDQKSJB-UHFFFAOYSA-N 50091143 CHEMBL106986::Phenethyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-amine Adenosine receptor A2a Homo sapiens 5051 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091143&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10522801 103989527 CHEMBL106986 ZINC13672209 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50162890 Clc1ccc2nc(NC3CCCCC3)c3nn(cc3c2c1)-c1ccccc1 InChI=1S/C22H21ClN4/c23-15-11-12-20-18(13-15)19-14-27(17-9-5-2-6-10-17)26-21(19)22(25-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H,24,25) JQFIOCXMMMPKNZ-UHFFFAOYSA-N 50091113 (8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-cyclohexyl-amine::CHEMBL104425 Adenosine receptor A2a Homo sapiens 4140 ChEMBL 10.1021/jm000936i 10.7270/Q28S4P52 10956220 Colotta, V; Catarzi, D; Varano, F; Cecchi, L; Filacchioni, G; Martini, C; Trincavelli, L; Lucacchini, A Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091113&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10547577 103989500 CHEMBL104425 ZINC13672251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50168344 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) AEULVFLPCJOBCE-UHFFFAOYSA-N 50094037 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL136689::SCH-442416 Adenosine receptor A2a Homo sapiens 0.048 ChEMBL 10.1021/jm0009843 10.7270/Q2Z037C8 11087559 Todde, S; Moresco, RM; Simonelli, P; Baraldi, PG; Cacciari, B; Spalluto, G; Varani, K; Monopoli, A; Matarrese, M; Carpinelli, A; Magni, F; Kienle, MG; Fazio, F University of Milano-Bicocca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094037&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10668061 103991936 CHEMBL136689 3283 ZINC00602847 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50186346 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A2a Homo sapiens 1040 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50186348 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A2a Homo sapiens 1390 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50186354 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A2a Homo sapiens 80 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50186355 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm010818a 10.7270/Q2WQ033H 11495585 Baraldi, PG; Cacciari, B; Moro, S; Romagnoli, R; Ji Xd, na; Jacobson, KA; Gessi, S; Borea, PA; Spalluto, G Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50188781 CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCN(C)CC1 InChI=1S/C22H26ClN5O2/c1-3-30-22(29)18-13-24-21-17(20(18)27-11-9-26(2)10-12-27)14-25-28(21)15-19(23)16-7-5-4-6-8-16/h4-8,13-14,19H,3,9-12,15H2,1-2H3 RQQHTDNUQZRYBY-UHFFFAOYSA-N 50104338 1-(2-Chloro-2-phenyl-ethyl)-4-(4-methyl-piperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL309618 Adenosine receptor A2a Homo sapiens 2140.0 ChEMBL 10.1016/s0960-894x(01)00483-8 10.7270/Q2K35SZW 11549462 Schenone, S; Bruno, O; Fossa, P; Ranise, A; Menozzi, G; Mosti, L; Bondavalli, F; Martini, C; Trincavelli, L Facoltà di Farmacia dell'Università degli Studi di Genova http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50104338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50104338&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10949999 104000277 CHEMBL309618 ZINC13491841 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195525 Nc1nc2n(CCCc3ccc(cc3)C(=N)NO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H19N9O2/c21-16(27-30)13-7-5-12(6-8-13)3-1-9-28-18-14(11-23-28)19-24-17(15-4-2-10-31-15)26-29(19)20(22)25-18/h2,4-8,10-11,30H,1,3,9H2,(H2,21,27)(H2,22,25) ZYQKVWSBXADVJY-UHFFFAOYSA-N 50108037 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)-N'-hydroxybenzimidamide::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-N-hydroxy-benzamidine::CHEMBL22822 Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108037&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44458220 104003259 CHEMBL22822 ZINC13471739 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195527 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195530 CC(=O)Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H18N8O2/c1-12(29)23-14-6-4-13(5-7-14)8-9-27-18-15(11-22-27)19-24-17(16-3-2-10-30-16)26-28(19)20(21)25-18/h2-7,10-11H,8-9H2,1H3,(H2,21,25)(H,23,29) ORFFEWLQAKDCPU-UHFFFAOYSA-N 50108036 CHEMBL22500::N-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenyl)acetamide::N-{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenyl}-acetamide Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108036&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10971427 104003258 CHEMBL22500 ZINC13471730 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195533 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C([O-])=O)C([O-])=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33)/p-2 XAJRAZXSOMHMEV-UHFFFAOYSA-L 50108032 CHEMBL281626::disodium 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2,2-dicarboxylic acid Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 91931840 104003254 CHEMBL281626 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195538 Nc1nc2n(CCCc3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H16N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9H2,(H2,22,25) BSYWTKZXPDAYGJ-UHFFFAOYSA-N 50108033 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzonitrile::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzonitrile::CHEMBL22191 Adenosine receptor A2a Homo sapiens 86 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108033&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11728711 104003255 CHEMBL22191 ZINC13471735 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195543 Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27) KNDXQOBJPNIBGT-UHFFFAOYSA-N 50108030 2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenylazanediyl)diethanol::2-[{4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-phenyl}-(2-hydroxy-ethyl)-amino]-ethanol::CHEMBL278812 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108030&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11005067 104003252 CHEMBL278812 ZINC13471732 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195546 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)NCC(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H18N8O5S/c21-20-25-18-14(19-24-17(26-28(19)20)15-2-1-9-33-15)10-22-27(18)8-7-12-3-5-13(6-4-12)34(31,32)23-11-16(29)30/h1-6,9-10,23H,7-8,11H2,(H2,21,25)(H,29,30) QQNUMGZGPVLZGM-UHFFFAOYSA-N 50108031 2-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenylsulfonamido)acetic acid::CHEMBL22881::{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonylamino}-acetic acid Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108031&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11145314 104003253 CHEMBL22881 ZINC13471752 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195550 Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26) UBOAZJGOUUQMNL-UHFFFAOYSA-N 50108043 2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)phenylazanediyl)diethanol::2-[{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenyl}-(2-hydroxy-ethyl)-amino]-ethanol::CHEMBL22202 Adenosine receptor A2a Homo sapiens 0.12 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108043&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10026670 104003265 CHEMBL22202 ZINC13471734 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195553 Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23) XMXGGIWSFRIOKL-UHFFFAOYSA-N 50051241 2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-(3-phenyl-propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 63390)::CHEMBL17121::SCH-63390 Adenosine receptor A2a Homo sapiens 1.2 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051241&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9798914 103948239 CHEMBL17121 ZINC12405956 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195564 Nc1nc2n(CCc3ccc(cc3)S(N)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H16N8O3S/c19-18-23-16-13(17-22-15(24-26(17)18)14-2-1-9-29-14)10-21-25(16)8-7-11-3-5-12(6-4-11)30(20,27)28/h1-6,9-10H,7-8H2,(H2,19,23)(H2,20,27,28) DZOGQCZPZSZUPY-UHFFFAOYSA-N 50108029 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonamide::CHEMBL23745 Adenosine receptor A2a Homo sapiens 1.31 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108029&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10928011 104003251 CHEMBL23745 ZINC13471748 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195569 CCOC(=O)c1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C22H21N7O3/c1-2-31-21(30)15-9-7-14(8-10-15)5-3-11-28-19-16(13-24-28)20-25-18(17-6-4-12-32-17)27-29(20)22(23)26-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,23,26) ONKVOHAWCUQFLD-UHFFFAOYSA-N 50108041 4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzoic acid ethyl ester::CHEMBL442338 Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108041&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11761823 104003263 CHEMBL442338 ZINC13471736 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195572 Nc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C18H16N8O/c19-12-5-3-11(4-6-12)7-8-25-16-13(10-21-25)17-22-15(14-2-1-9-27-14)24-26(17)18(20)23-16/h1-6,9-10H,7-8,19H2,(H2,20,23) IBPYIYGEVVBWIO-UHFFFAOYSA-N 50108042 7-(4-aminophenethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[2-(4-Amino-phenyl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22316 Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108042&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10959335 104003264 CHEMBL22316 ZINC13471741 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195573 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H24N8O5S/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-35-18)14-24-29(20)8-7-15-3-5-16(6-4-15)36(33,34)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26) CNEVAKTYBKERIS-UHFFFAOYSA-N 50108022 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-hydroxy-ethyl)-benzenesulfonamide::CHEMBL22717 Adenosine receptor A2a Homo sapiens 0.8 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108022&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11813241 104003244 CHEMBL22717 ZINC13471749 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195580 CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27) UIAWUQHFYVTKHM-UHFFFAOYSA-N 50108038 2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfonyl)phenethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-{2-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL418564 Adenosine receptor A2a Homo sapiens 3.8 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108038&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11060260 104003260 CHEMBL418564 ZINC13471750 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195581 CCOC(=O)[C@@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1 InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m1/s1 HLYUSSPLIJFDJS-JOCHJYFZSA-N 50108034 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2-carboxylic acid ethyl ester::CHEMBL279062 Adenosine receptor A2a Homo sapiens 5.48 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108034&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457923 104003256 CHEMBL279062 ZINC13471756 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195584 Nc1nc2n(CCCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H17N7O4S/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)31(27,28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23)(H,27,28,29) QTZKVEDESUEFBV-UHFFFAOYSA-N 50108039 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzenesulfonic acid::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzenesulfonic acid::CHEMBL278605 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108039&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10993869 104003261 CHEMBL278605 ZINC13471753 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195588 Nc1nc2n(CCCc3ccc(cc3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H16N8O3/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-30-15)11-21-25(17)9-1-3-12-5-7-13(8-6-12)27(28)29/h2,4-8,10-11H,1,3,9H2,(H2,20,23) OAQZQVKTUMEBRY-UHFFFAOYSA-N 50108040 2-(furan-2-yl)-7-(3-(4-nitrophenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-[3-(4-nitro-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22241 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108040&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10938325 104003262 CHEMBL22241 ZINC13471728 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195594 Nc1nc2n(CCc3ccc(cc3)S(=O)(=O)N(CCCl)CCCl)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28) AFJNCGQVDPTGRN-UHFFFAOYSA-N 50108027 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-chloroethyl)benzenesulfonamide::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-chloro-ethyl)-benzenesulfonamide::CHEMBL278805 Adenosine receptor A2a Homo sapiens 0.59 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108027&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11017082 104003249 CHEMBL278805 ZINC28254396 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195596 CCOC(=O)COc1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C22H21N7O4/c1-2-31-18(30)13-33-15-7-5-14(6-8-15)9-10-28-20-16(12-24-28)21-25-19(17-4-3-11-32-17)27-29(21)22(23)26-20/h3-8,11-12H,2,9-10,13H2,1H3,(H2,23,26) XUSCPSATZZCPRH-UHFFFAOYSA-N 50108035 CHEMBL22200::{4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-phenoxy}-acetic acid ethyl ester Adenosine receptor A2a Homo sapiens 0.43 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108035&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11037671 104003257 CHEMBL22200 ZINC13471737 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195597 Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24) QXXUKKUVQMADQS-UHFFFAOYSA-N 50108018 7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(4-Amino-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL281805 Adenosine receptor A2a Homo sapiens 0.22 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108018&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10904839 104003240 CHEMBL281805 ZINC13471738 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195599 Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26) XWPUNBYJQDUILR-UHFFFAOYSA-N 50108019 (5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2,2-diyl)dimethanol::CHEMBL282888::{5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-2-hydroxymethyl-benzo[1,3]dioxol-2-yl}-methanol Adenosine receptor A2a Homo sapiens 0.19 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108019&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10050031 104003241 CHEMBL282888 ZINC13471757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195601 Nc1nc2n(CCc3ccc(cc3)S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O4S/c19-18-22-16-13(17-21-15(23-25(17)18)14-2-1-9-29-14)10-20-24(16)8-7-11-3-5-12(6-4-11)30(26,27)28/h1-6,9-10H,7-8H2,(H2,19,22)(H,26,27,28) ZWERJHJGEYCEAU-UHFFFAOYSA-N 50108024 4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)benzenesulfonic acid::4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-benzenesulfonic acid::CHEMBL22968 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108024&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11048163 104003246 CHEMBL22968 ZINC13471747 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195608 Nc1nc2n(CCCc3ccc4OC(Oc4c3)(C(O)=O)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N7O7/c23-21-26-17-12(18-25-16(27-29(18)21)14-4-2-8-34-14)10-24-28(17)7-1-3-11-5-6-13-15(9-11)36-22(35-13,19(30)31)20(32)33/h2,4-6,8-10H,1,3,7H2,(H2,23,26)(H,30,31)(H,32,33) XAJRAZXSOMHMEV-UHFFFAOYSA-N 50108025 5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2,2-dicarboxylic acid::5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2,2-dicarboxylic acid::CHEMBL278996 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10962009 104003247 CHEMBL278996 ZINC13471759 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50201238 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 503.0 ChEMBL 10.1021/jm011049y 10.7270/Q2X929MN 11906291 Hayallah, AM; Sandoval-Ramirez, J; Reith, U; Schobert, U; Preiss, B; Schumacher, B; Daly, JW; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198210 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O5S/c1-2-3-10-28-12-15-17(26-28)24-20(29-19(15)23-18(27-29)16-5-4-11-34-16)25-21(30)22-13-6-8-14(9-7-13)35(31,32)33/h4-9,11-12H,2-3,10H2,1H3,(H,31,32,33)(H2,22,24,25,26,30) CUKROFJHIKPBQG-UHFFFAOYSA-N 50109442 4-(3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL164904 Adenosine receptor A2a Homo sapiens 352 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109442&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11123887 104004392 CHEMBL164904 ZINC13472360 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198211 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) VSCGUBNFPMURGN-UHFFFAOYSA-N 50109439 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-chlorophenyl)urea::CHEMBL424161 Adenosine receptor A2a Homo sapiens 111 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109439&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11037739 104004389 CHEMBL424161 ZINC13472371 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198217 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) VWSPWOIXVVRAKZ-UHFFFAOYSA-N 50109445 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::CHEMBL348975 Adenosine receptor A2a Homo sapiens 30 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109445&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10938276 104004395 CHEMBL348975 ZINC13472338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198219 CCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19N7O2/c1-2-10-27-13-15-18(25-27)24-21(22-17(29)12-14-7-4-3-5-8-14)28-20(15)23-19(26-28)16-9-6-11-30-16/h3-9,11,13H,2,10,12H2,1H3,(H,22,24,25,29) SVDLLGYVNRRWDR-UHFFFAOYSA-N 50109449 CHEMBL349464::N-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide Adenosine receptor A2a Homo sapiens 306 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109449&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11784369 104004399 CHEMBL349464 ZINC13472374 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198222 Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28) XMSLNRUNVUAOJS-UHFFFAOYSA-N 50094690 1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL344501 Adenosine receptor A2a Homo sapiens 1195 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094690&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9822747 103992566 CHEMBL344501 ZINC13472314 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198227 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-10-29-13-16-18(27-29)25-21(26-22(31)23-14-7-5-8-15(12-14)32-2)30-20(16)24-19(28-30)17-9-6-11-33-17/h5-9,11-13H,3-4,10H2,1-2H3,(H2,23,25,26,27,31) WWOJSFIUZDNCOE-UHFFFAOYSA-N 50109436 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::CHEMBL164325 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109436&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11080788 104004386 CHEMBL164325 ZINC13472369 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198232 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C18H12Cl2N8O2/c1-27-8-10-14(25-27)23-17(24-18(29)21-9-4-5-11(19)12(20)7-9)28-16(10)22-15(26-28)13-3-2-6-30-13/h2-8H,1H3,(H2,21,23,24,25,29) WRFYJOIKSSTMGJ-UHFFFAOYSA-N 50109443 1-(3,4-Dichloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL349019 Adenosine receptor A2a Homo sapiens 143 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109443&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9955052 104004393 CHEMBL349019 ZINC13472322 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198234 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O2/c1-2-3-11-28-13-15-17(26-28)24-20(25-21(30)22-14-8-5-4-6-9-14)29-19(15)23-18(27-29)16-10-7-12-31-16/h4-10,12-13H,2-3,11H2,1H3,(H2,22,24,25,26,30) WUAXAEHITYFYHE-UHFFFAOYSA-N 50109456 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::CHEMBL349240::MRE 3062F20 Adenosine receptor A2a Homo sapiens 148 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109456&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10905799 104004406 CHEMBL349240 ZINC13472359 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198235 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C22H19F3N8O2/c1-2-3-10-32-12-15-17(30-32)28-20(33-19(15)27-18(31-33)16-5-4-11-35-16)29-21(34)26-14-8-6-13(7-9-14)22(23,24)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28,29,30,34) SPQHOKINAATLLJ-UHFFFAOYSA-N 50109457 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::CHEMBL349954 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109457&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11733601 104004407 CHEMBL349954 ZINC13472367 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198242 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28) PCXPLFCLERZTBF-UHFFFAOYSA-N 50109451 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::CHEMBL354161 Adenosine receptor A2a Homo sapiens 695 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109451&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11133545 104004401 CHEMBL354161 C02125 ZINC13472324 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198247 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-9-28-12-15-17(26-28)24-20(25-21(30)22-13-6-4-7-14(11-13)31-2)29-19(15)23-18(27-29)16-8-5-10-32-16/h4-8,10-12H,3,9H2,1-2H3,(H2,22,24,25,26,30) RXXQRMSOXJMVBN-UHFFFAOYSA-N 50109463 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::CHEMBL350261 Adenosine receptor A2a Homo sapiens 113 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109463&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11133804 104004413 CHEMBL350261 ZINC13472356 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198249 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19FN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) YWIKZGGTUBVHBL-UHFFFAOYSA-N 50109464 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluoro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluorophenyl)urea::CHEMBL165620 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109464&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11133843 104004414 CHEMBL165620 ZINC13472366 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198250 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C20H17N9O4/c1-2-9-27-11-14-16(25-27)23-19(28-18(14)22-17(26-28)15-4-3-10-33-15)24-20(30)21-12-5-7-13(8-6-12)29(31)32/h3-8,10-11H,2,9H2,1H3,(H2,21,23,24,25,30) FMBRLWKPOKELMV-UHFFFAOYSA-N 50109448 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::CHEMBL355415 Adenosine receptor A2a Homo sapiens 1115 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109448&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10884803 104004398 CHEMBL355415 C02125 ZINC13472350 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198255 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17BrN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) BZTRALWFDUDZBD-UHFFFAOYSA-N 50109435 1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350205 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109435&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11733556 104004385 CHEMBL350205 ZINC13472352 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198262 Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O2/c1-11-5-7-12(8-6-11)20-19(28)23-18-22-15-13(10-26(2)24-15)17-21-16(25-27(17)18)14-4-3-9-29-14/h3-10H,1-2H3,(H2,20,22,23,24,28) FNOVENHZHXUETK-UHFFFAOYSA-N 50109472 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::CHEMBL351285 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109472&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10905184 104004422 CHEMBL351285 ZINC13472325 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198265 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H16N8O2/c1-2-26-11-13-15(24-26)22-18(23-19(28)20-12-7-4-3-5-8-12)27-17(13)21-16(25-27)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,22,23,24,28) ZFWFVVFEJZLCTO-UHFFFAOYSA-N 50109473 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::CHEMBL352796::MRE 3048F20 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109473&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11728808 104004423 CHEMBL352796 ZINC13472333 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198272 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-14-18(27-29)25-21(26-22(31)23-15-8-5-6-9-16(15)32-2)30-20(14)24-19(28-30)17-10-7-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) BEIRGCYOTBHQCE-UHFFFAOYSA-N 50109470 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::CHEMBL349611 Adenosine receptor A2a Homo sapiens 91 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109470&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11059351 104004420 CHEMBL349611 ZINC13472368 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198275 CCCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-9-29-12-15-17(27-29)25-20(26-21(31)23-14-7-4-6-13(22)11-14)30-19(15)24-18(28-30)16-8-5-10-32-16/h4-8,10-12H,2-3,9H2,1H3,(H2,23,25,26,27,31) OIVZKXGLPGFSTR-UHFFFAOYSA-N 50094699 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-chlorophenyl)urea::CHEMBL423934 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10647227 103992575 CHEMBL423934 ZINC13472319 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198279 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H19BrN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) BMCOYZDNAMZDPR-UHFFFAOYSA-N 50109476 1-(4-Bromo-phenyl)-3-(8-butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350830 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109476&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10918042 104004426 CHEMBL350830 ZINC13472365 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198281 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-10-14(24-26)22-17(23-18(28)20-12-6-3-2-5-11(12)19)27-16(10)21-15(25-27)13-7-4-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) ICNNXGJLOCFASJ-UHFFFAOYSA-N 50109459 1-(2-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164281 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109459&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10927693 104004409 CHEMBL164281 ZINC13472331 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198286 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H18N8O4/c1-2-7-28-10-13-17(26-28)24-20(29-19(13)23-18(27-29)15-4-3-8-31-15)25-21(30)22-12-5-6-14-16(9-12)33-11-32-14/h3-6,8-10H,2,7,11H2,1H3,(H2,22,24,25,26,30) LFIPIWLAZKCZFG-UHFFFAOYSA-N 50109446 1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL166301 Adenosine receptor A2a Homo sapiens 667 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109446&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10939224 104004396 CHEMBL166301 ZINC13472349 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198294 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29) WUHIIHNZITXJEK-UHFFFAOYSA-N 50109481 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL168018::MRE 3055F20 Adenosine receptor A2a Homo sapiens 62 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109481&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11761221 104004431 CHEMBL168018 ZINC13472346 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198299 CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-8-28-11-14-16(26-28)24-19(25-20(30)22-13-6-3-5-12(21)10-13)29-18(14)23-17(27-29)15-7-4-9-31-15/h3-7,9-11H,2,8H2,1H3,(H2,22,24,25,26,30) NFDDKDIFVJEASK-UHFFFAOYSA-N 85619 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]urea::CHEMBL138332::MRE 3010F20 Adenosine receptor A2a Homo sapiens 1220 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85619&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910926 136351719 CHEMBL138332 465 ZINC13472317 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198301 CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17N7O2/c1-2-26-12-14-17(24-26)23-20(21-16(28)11-13-7-4-3-5-8-13)27-19(14)22-18(25-27)15-9-6-10-29-15/h3-10,12H,2,11H2,1H3,(H,21,23,24,28) GXSUORPDPIUXJS-UHFFFAOYSA-N 50109482 CHEMBL165073::N-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide Adenosine receptor A2a Homo sapiens 335 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109482&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10971099 104004432 CHEMBL165073 ZINC13472373 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198303 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C21H17F3N8O2/c1-2-9-31-11-14-16(29-31)27-19(32-18(14)26-17(30-32)15-4-3-10-34-15)28-20(33)25-13-7-5-12(6-8-13)21(22,23)24/h3-8,10-11H,2,9H2,1H3,(H2,25,27,28,29,33) BEIXNFXNDHJWAK-UHFFFAOYSA-N 50109479 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::CHEMBL164509 Adenosine receptor A2a Homo sapiens 34 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109479&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10994317 104004429 CHEMBL164509 ZINC13472354 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198308 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-4-7-13(10-12)30-2)28-18(14)22-17(26-28)15-8-5-9-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) LHFQFJWTQJNDSV-UHFFFAOYSA-N 50109466 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::CHEMBL164381 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10971806 104004416 CHEMBL164381 ZINC13472343 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198316 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13FN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) TWURXTVPZRAVFY-UHFFFAOYSA-N 50109434 1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-fluorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL572765 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109434&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10453097 104004384 CHEMBL572765 ZINC13472327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198323 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) IZKLDTRUPWVXIX-UHFFFAOYSA-N 50082418 1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL65271 Adenosine receptor A2a Homo sapiens 1040 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9953799 103982205 CHEMBL65271 ZINC13472315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198325 Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14N8O4/c1-26-8-11-15(24-26)22-18(27-17(11)21-16(25-27)13-3-2-6-29-13)23-19(28)20-10-4-5-12-14(7-10)31-9-30-12/h2-8H,9H2,1H3,(H2,20,22,23,24,28) MWPIAGIXDKLYME-UHFFFAOYSA-N 50109441 1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL165224 Adenosine receptor A2a Homo sapiens 680 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109441&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10884265 104004391 CHEMBL165224 ZINC13472323 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198328 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C22H20N8O4/c1-2-3-8-29-11-14-18(27-29)25-21(30-20(14)24-19(28-30)16-5-4-9-32-16)26-22(31)23-13-6-7-15-17(10-13)34-12-33-15/h4-7,9-11H,2-3,8,12H2,1H3,(H2,23,25,26,27,31) FCRUKTDNWPIBOC-UHFFFAOYSA-N 50109484 1-(benzo[d][1,3]dioxol-5-yl)-3-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(8-butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL352192 Adenosine receptor A2a Homo sapiens 376 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109484&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10994183 104004434 CHEMBL352192 ZINC13472362 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198329 COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-3-6-12(9-11)29-2)27-17(13)21-16(25-27)14-7-4-8-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) AQNRHHRYYOZUOC-UHFFFAOYSA-N 50109474 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3-methoxy-phenyl)-urea::CHEMBL164992 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109474&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11811544 104004424 CHEMBL164992 ZINC13472330 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198335 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) OWMCDZATZMOWJW-UHFFFAOYSA-N 50109469 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::CHEMBL351075 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109469&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10938608 104004419 CHEMBL351075 ZINC13472351 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198336 COc1ccccc1NC(=O)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H16N8O3/c1-26-10-11-15(24-26)22-18(23-19(28)20-12-6-3-4-7-13(12)29-2)27-17(11)21-16(25-27)14-8-5-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) GXDMHIOIHZQMCR-UHFFFAOYSA-N 50109487 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::CHEMBL351211 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109487&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11058550 104004437 CHEMBL351211 ZINC13472329 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198339 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27) UYEQIRAILMVJGC-UHFFFAOYSA-N 50109453 CHEMBL341376::N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 423.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109453&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11014188 104004403 CHEMBL341376 ZINC13472372 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198341 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) HBBCCVGBJNRDQE-UHFFFAOYSA-N 50109480 1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL352345 Adenosine receptor A2a Homo sapiens 150 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109480&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11004373 104004430 CHEMBL352345 ZINC13472344 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198342 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O5S/c1-2-9-27-11-14-16(25-27)23-19(28-18(14)22-17(26-28)15-4-3-10-33-15)24-20(29)21-12-5-7-13(8-6-12)34(30,31)32/h3-8,10-11H,2,9H2,1H3,(H,30,31,32)(H2,21,23,24,25,29) MBCAQKYUCSIGAF-UHFFFAOYSA-N 50109478 4-(3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL350573 Adenosine receptor A2a Homo sapiens 305 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109478&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11070905 104004428 CHEMBL350573 ZINC13472347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198343 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-9-28-11-12-16(26-28)24-19(25-20(30)22-14-7-4-3-6-13(14)21)29-18(12)23-17(27-29)15-8-5-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) WROAGIKDBNSCJU-UHFFFAOYSA-N 50109460 1-(2-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(2-chlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL350042 Adenosine receptor A2a Homo sapiens 121 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109460&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10982985 104004410 CHEMBL350042 ZINC13472357 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198348 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H14Cl2N8O2/c1-2-28-9-11-15(26-28)24-18(25-19(30)22-10-5-6-12(20)13(21)8-10)29-17(11)23-16(27-29)14-4-3-7-31-14/h3-9H,2H2,1H3,(H2,22,24,25,26,30) UVJDRLQYFHNJIK-UHFFFAOYSA-N 50109483 1-(3,4-Dichloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164275 Adenosine receptor A2a Homo sapiens 352 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109483&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10863425 104004433 CHEMBL164275 ZINC13472335 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198362 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17ClN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) YSKVVKBTAXRUQS-UHFFFAOYSA-N 50109458 1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL164905 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109458&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10895416 104004408 CHEMBL164905 ZINC13472358 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198363 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N9O4/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(29)20-11-5-7-12(8-6-11)28(30)31/h3-10H,2H2,1H3,(H2,20,22,23,24,29) ITAQPDVKHQKIHR-UHFFFAOYSA-N 50109471 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::CHEMBL165910 Adenosine receptor A2a Homo sapiens 614 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109471&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11026434 104004421 CHEMBL165910 C02125 ZINC13472337 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198365 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15FN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) XLPDJMHOTMAAOH-UHFFFAOYSA-N 50109447 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluoro-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-fluorophenyl)urea::CHEMBL164685 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109447&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11015003 104004397 CHEMBL164685 ZINC13472340 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198368 CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H16N8O4/c1-2-27-9-12-16(25-27)23-19(28-18(12)22-17(26-28)14-4-3-7-30-14)24-20(29)21-11-5-6-13-15(8-11)32-10-31-13/h3-9H,2,10H2,1H3,(H2,21,23,24,25,29) FVFSYIHQKDNCSO-UHFFFAOYSA-N 50109475 1-(benzo[d][1,3]dioxol-5-yl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::1-Benzo[1,3]dioxol-5-yl-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::CHEMBL165083 Adenosine receptor A2a Homo sapiens 576 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109475&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11112849 104004425 CHEMBL165083 ZINC13472336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198372 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198376 CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C20H18N8O3/c1-3-27-11-12-16(25-27)23-19(24-20(29)21-13-7-4-5-8-14(13)30-2)28-18(12)22-17(26-28)15-9-6-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29) SEJFSOMEWFABFC-UHFFFAOYSA-N 50109452 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::CHEMBL164647 Adenosine receptor A2a Homo sapiens 133 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109452&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11112543 104004402 CHEMBL164647 ZINC13472342 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198380 CCCCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H21N7O2/c1-2-3-11-28-14-16-19(26-28)25-22(23-18(30)13-15-8-5-4-6-9-15)29-21(16)24-20(27-29)17-10-7-12-31-17/h4-10,12,14H,2-3,11,13H2,1H3,(H,23,25,26,30) PKFRXUCKLQZSPD-UHFFFAOYSA-N 50109485 CHEMBL163968::N-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109485&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11811761 104004435 CHEMBL163968 ZINC13472375 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198381 COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28) DSYBQTPGBPZMKO-UHFFFAOYSA-N 50094691 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL329791 Adenosine receptor A2a Homo sapiens 1390 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9801343 103992567 CHEMBL329791 ZINC13472313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198387 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13BrN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) ICVHZJCIDVQQJU-UHFFFAOYSA-N 50109477 1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL348925 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109477&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11144868 104004427 CHEMBL348925 ZINC13472326 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198395 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C21H18Cl2N8O2/c1-2-3-8-30-11-13-17(28-30)26-20(27-21(32)24-12-6-7-14(22)15(23)10-12)31-19(13)25-18(29-31)16-5-4-9-33-16/h4-7,9-11H,2-3,8H2,1H3,(H2,24,26,27,28,32) YWJADWXQSSUICH-UHFFFAOYSA-N 50109465 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3,4-dichloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(3,4-dichlorophenyl)urea::CHEMBL352707 Adenosine receptor A2a Homo sapiens 495 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109465&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11812897 104004415 CHEMBL352707 ZINC13472361 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198400 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198403 CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-13-17(26-28)24-20(25-21(30)22-14-7-4-5-8-15(14)31-2)29-19(13)23-18(27-29)16-9-6-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) ZYQMTELMKXLVHN-UHFFFAOYSA-N 50109489 1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxyphenyl)urea::1-(2-Furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-methoxy-phenyl)-urea::CHEMBL165560 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109489 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109489&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10928182 104004439 CHEMBL165560 ZINC13472355 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198406 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C20H17FN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30) RPJWXCWBXBWFCF-UHFFFAOYSA-N 50109462 1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-fluorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL165778 Adenosine receptor A2a Homo sapiens 42 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109462&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10971841 104004412 CHEMBL165778 ZINC13472353 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198410 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C21H19N9O4/c1-2-3-10-28-12-15-17(26-28)24-20(29-19(15)23-18(27-29)16-5-4-11-34-16)25-21(31)22-13-6-8-14(9-7-13)30(32)33/h4-9,11-12H,2-3,10H2,1H3,(H2,22,24,25,26,31) IFNPTXPWWYFXLK-UHFFFAOYSA-N 50109467 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-nitrophenyl)urea::CHEMBL167915 Adenosine receptor A2a Homo sapiens 503.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109467&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10928649 104004417 CHEMBL167915 C02125 ZINC13472363 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198420 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15BrN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) GQNTYJRUQFVQDY-UHFFFAOYSA-N 50109437 1-(4-Bromo-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-bromophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL165600 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109437&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11037972 104004387 CHEMBL165600 ZINC13472339 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198426 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O2/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-15-9-7-14(2)8-10-15)30-20(16)24-19(28-30)17-6-5-12-32-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) IROKGKLLWZLKKI-UHFFFAOYSA-N 50109438 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolyl-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-p-tolylurea::CHEMBL166684 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109438&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11732736 104004388 CHEMBL166684 ZINC13472364 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198434 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C20H16Cl2N8O2/c1-2-7-29-10-12-16(27-29)25-19(26-20(31)23-11-5-6-13(21)14(22)9-11)30-18(12)24-17(28-30)15-4-3-8-32-15/h3-6,8-10H,2,7H2,1H3,(H2,23,25,26,27,31) UBPNPYAOHJXLLA-UHFFFAOYSA-N 50109486 1-(3,4-Dichloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3,4-dichlorophenyl)-3-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL353299 Adenosine receptor A2a Homo sapiens 401.0 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109486&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11081189 104004436 CHEMBL353299 ZINC13472348 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198437 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27) BXKRONFNAOPLMU-UHFFFAOYSA-N 50109450 4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL324512 Adenosine receptor A2a Homo sapiens 594 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109450&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9803992 104004400 CHEMBL324512 ZINC13472321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198439 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 InChI=1S/C21H19ClN8O2/c1-2-3-10-29-12-13-17(27-29)25-20(26-21(31)23-15-8-5-4-7-14(15)22)30-19(13)24-18(28-30)16-9-6-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31) RPCXHHPLDXSEJF-UHFFFAOYSA-N 50109440 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-chloro-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(2-chlorophenyl)urea::CHEMBL349716 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109440&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11091632 104004390 CHEMBL349716 ZINC13472370 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198449 COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29) YCBRJFDQRREGOZ-UHFFFAOYSA-N 50094694 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea::CHEMBL144979 Adenosine receptor A2a Homo sapiens 9.4 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094694&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10296638 103992570 CHEMBL144979 ZINC00594327 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198463 CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31) XMCVJFCDPDUAPT-UHFFFAOYSA-N 50094687 1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxy-phenyl)-urea::1-(8-butyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea::CHEMBL330286 Adenosine receptor A2a Homo sapiens 80 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094687&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10623248 103992563 CHEMBL330286 ZINC13472318 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198467 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C20H15F3N8O2/c1-2-30-10-13-15(28-30)26-18(31-17(13)25-16(29-31)14-4-3-9-33-14)27-19(32)24-12-7-5-11(6-8-12)20(21,22)23/h3-10H,2H2,1H3,(H2,24,26,27,28,32) APLSVTYFWKNRKK-UHFFFAOYSA-N 50109444 1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::CHEMBL165044 Adenosine receptor A2a Homo sapiens 53 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109444&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11826577 104004394 CHEMBL165044 ZINC13472341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198468 Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29) DWZXGZAHYQTPLP-UHFFFAOYSA-N 50094692 1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea::CHEMBL141550 Adenosine receptor A2a Homo sapiens 9.5 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094692&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10225178 103992568 CHEMBL141550 ZINC00594328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198469 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C19H13F3N8O2/c1-29-9-12-14(27-29)25-17(30-16(12)24-15(28-30)13-3-2-8-32-13)26-18(31)23-11-6-4-10(5-7-11)19(20,21)22/h2-9H,1H3,(H2,23,25,26,27,31) MHDGNCOMJIVSOQ-UHFFFAOYSA-N 50109468 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-(trifluoromethyl)phenyl)urea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-trifluoromethyl-phenyl)-urea::CHEMBL164686 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109468&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10993916 104004418 CHEMBL164686 ZINC13472328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198470 CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) NWAXVCISHHAARQ-UHFFFAOYSA-N 50082425 1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(3-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL141154 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50082425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50082425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910158 103982212 CHEMBL141154 ZINC13472316 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198473 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29) GPHJHOZYSNRISC-UHFFFAOYSA-N 50109455 1-(4-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL352073 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109455&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11122708 104004405 CHEMBL352073 ZINC13472345 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198476 CCn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C19H16N8O5S/c1-2-26-10-13-15(24-26)22-18(27-17(13)21-16(25-27)14-4-3-9-32-14)23-19(28)20-11-5-7-12(8-6-11)33(29,30)31/h3-10H,2H2,1H3,(H,29,30,31)(H2,20,22,23,24,28) JZZSDHBUYACBNN-UHFFFAOYSA-N 50109488 4-(3-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[({[8-ethyl-2-(2-furyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino}carbonyl)amino]benzenesulfonic acid::4-[3-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL164867 Adenosine receptor A2a Homo sapiens 249 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109488 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109488&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11762418 104004438 CHEMBL164867 ZINC13472334 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50198479 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28) YNNNCAAPQRZSHQ-UHFFFAOYSA-N 50109454 1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-urea::1-(4-chlorophenyl)-3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)urea::CHEMBL167753 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm0109614 10.7270/Q27W6BHW 11831890 Baraldi, PG; Cacciari, B; Moro, S; Spalluto, G; Pastorin, G; Da Ros, T; Klotz, KN; Varani, K; Gessi, S; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109454&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10431614 104004404 CHEMBL167753 ZINC13472332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195496 Nc1nc2n(CCCc3ccc(cc3)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O3/c21-20-24-17-14(18-23-16(25-27(18)20)15-4-2-10-30-15)11-22-26(17)9-1-3-12-5-7-13(8-6-12)19(28)29/h2,4-8,10-11H,1,3,9H2,(H2,21,24)(H,28,29) UDSMQGVVBMEYMA-UHFFFAOYSA-N 50108021 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzoic acid::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzoic acid::CHEMBL279254 Adenosine receptor A2a Homo sapiens 4.63 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10916451 104003243 CHEMBL279254 ZINC13471743 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195498 NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25) SEYAPVQCSVXUEY-UHFFFAOYSA-N 50108020 7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-[3-(4-Aminomethyl-phenyl)-propyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL22320 Adenosine receptor A2a Homo sapiens 0.13 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10249674 104003242 CHEMBL22320 ZINC13471740 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195499 NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1 InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26) ZCGAZJGHUJYERE-UHFFFAOYSA-N 50108023 4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzimidamide::4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzamidine::CHEMBL281601 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108023&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10972594 104003245 CHEMBL281601 ZINC13471742 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195505 Nc1nc2n(CCCc3ccc4O[C@H](Oc4c3)C(O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m1/s1 AFOOOKGSRGDTCL-HXUWFJFHSA-N 50108026 5-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-2-carboxylic acid::CHEMBL22355 Adenosine receptor A2a Homo sapiens 59 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44457922 104003248 CHEMBL22355 ZINC13471760 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50195506 Nc1nc2n(CCCc3cc4OCOc4cc3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)13-4-2-6-31-13)9-22-26(18)5-1-3-11-7-14-15(33-10-32-14)8-16(11)34(28,29)30/h2,4,6-9H,1,3,5,10H2,(H2,21,24)(H,28,29,30) KMTCPHIXCANCDM-UHFFFAOYSA-N 50108028 6-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzo[1,3]dioxole-5-sulfonic acid::CHEMBL22974 Adenosine receptor A2a Homo sapiens 75 ChEMBL 10.1021/jm010924c 10.7270/Q29Z946T 11754583 Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Monopoli, A; Ongini, E; Varani, K; Borea, PA Università degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11027282 104003250 CHEMBL22974 ZINC13471754 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210972 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12 InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1 ABUUWIZJEMSEFP-KYOARWNFSA-N 50163014 (1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2,5-dimethoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL178846 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163014&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71456194 104049107 CHEMBL178846 ZINC13611550 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215395 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1 InChI=1S/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18-/m1/s1 OMYIZCDTYNHUGF-XWXWGSFUSA-N 50119131 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid cyclopentylamide::CHEMBL329712 Adenosine receptor A2a Homo sapiens 380 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330852 104012379 CHEMBL329712 ZINC13818956 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215397 CCCCCCCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C23H35N7O4/c1-2-3-4-5-6-7-8-9-10-29-12-15(11-26-29)21-27-20(24)17-22(28-21)30(14-25-17)23-19(33)18(32)16(13-31)34-23/h11-12,14,16,18-19,23,31-33H,2-10,13H2,1H3,(H2,24,27,28)/t16-,18-,19-,23-/m1/s1 XABAQSNFYMDQNG-DYVMYPEFSA-N 50119136 (2R,3R,4S,5R)-2-[6-Amino-2-(1-decyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98958 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119136&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330810 104012384 CHEMBL98958 ZINC36113800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215398 Cc1cc(nn1-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)-c1ccccc1 InChI=1S/C20H21N7O4/c1-10-7-12(11-5-3-2-4-6-11)25-27(10)20-23-17(21)14-18(24-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1 PIZIIIADJBXLAX-NVQRDWNXSA-N 50119135 (2R,3R,4S,5R)-2-[6-Amino-2-(5-methyl-3-phenyl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL317053 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119135&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330776 104012383 CHEMBL317053 ZINC13818939 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215400 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCc2ccccc2)c1 InChI=1S/C22H25N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,15,17-18,22,30-32H,4,7-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1 NKWVNJJZYXEHKE-UVLLPENVSA-N 50119133 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-phenyl-propyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL100348 Adenosine receptor A2a Homo sapiens 1660 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119133&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330758 104012381 CHEMBL100348 ZINC13818978 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215402 CCCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H27N7O4/c1-4-5-6-11-9(2)24-26(10(11)3)19-22-16(20)13-17(23-19)25(8-21-13)18-15(29)14(28)12(7-27)30-18/h8,12,14-15,18,27-29H,4-7H2,1-3H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1 IHXIAXRXTMYWSM-SCFUHWHPSA-N 50119137 (2R,3R,4S,5R)-2-[6-Amino-2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL443495 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119137&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330735 104012385 CHEMBL443495 ZINC13818937 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215408 CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14-/m1/s1 ZPVLTIXYQGANFL-IDTAVKCVSA-N 50119142 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester::CHEMBL101218 Adenosine receptor A2a Homo sapiens 1280 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119142&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9865974 104012390 CHEMBL101218 ZINC13818926 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215409 COc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H21N7O5/c1-31-12-4-2-10(3-5-12)11-6-23-27(7-11)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)32-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1 BJLRXPIBFWXVOO-NVQRDWNXSA-N 50119144 (2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-methoxy-phenyl)-pyrazol-1-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL318928 Adenosine receptor A2a Homo sapiens 560.0 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119144&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9803226 104012392 CHEMBL318928 ZINC13818930 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215410 CC(C)n1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H21N7O4/c1-7(2)23-4-8(3-19-23)14-20-13(17)10-15(21-14)22(6-18-10)16-12(26)11(25)9(5-24)27-16/h3-4,6-7,9,11-12,16,24-26H,5H2,1-2H3,(H2,17,20,21)/t9-,11-,12-,16-/m1/s1 GLFBSTDOMFXICF-UBEDBUPSSA-N 50119143 (2R,3R,4S,5R)-2-[6-Amino-2-(1-isopropyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98221 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119143&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330818 104012391 CHEMBL98221 ZINC13818964 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215413 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC2CCCCC2)c1 InChI=1S/C20H27N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h6,8,10-11,13,15-16,20,28-30H,1-5,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1 BWUDUNHQQNVAHC-KHTYJDQRSA-N 50119141 (2R,3R,4S,5R)-2-[6-Amino-2-(1-cyclohexylmethyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL99983 Adenosine receptor A2a Homo sapiens 880.0 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119141&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330734 104012389 CHEMBL99983 ZINC13818981 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215416 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1 AMAIHVYPJNVOIU-KHTYJDQRSA-N 50119148 (2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98278 Adenosine receptor A2a Homo sapiens 1580 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119148&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9845174 104012396 CHEMBL98278 ZINC13818973 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215417 Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1 SMHXFNFQIACRLB-NVQRDWNXSA-N 50119149 (2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98597 Adenosine receptor A2a Homo sapiens 490.0 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119149&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9823602 104012397 CHEMBL98597 ZINC13818932 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215418 CCCCCn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H25N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h6-7,9,11,13-14,18,26-28H,2-5,8H2,1H3,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1 SZQIRVBJFJWUEK-XWXWGSFUSA-N 50119150 (2R,3R,4S,5R)-2-[6-Amino-2-(1-pentyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL102035 Adenosine receptor A2a Homo sapiens 2140 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119150&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9844103 104012398 CHEMBL102035 ZINC13818966 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215419 CCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C17H22N8O5/c1-2-19-10(27)5-24-4-8(3-21-24)15-22-14(18)11-16(23-15)25(7-20-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,2,5-6H2,1H3,(H,19,27)(H2,18,22,23)/t9-,12-,13-,17-/m1/s1 FVZQVLRTPRQURY-DMEFTLKTSA-N 50119139 2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-N-ethyl-acetamide::CHEMBL99554 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119139&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330685 104012387 CHEMBL99554 ZINC13818995 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215425 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A2a Homo sapiens 1120 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215426 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn[nH]c1 InChI=1S/C13H15N7O4/c14-10-7-12(19-11(18-10)5-1-16-17-2-5)20(4-15-7)13-9(23)8(22)6(3-21)24-13/h1-2,4,6,8-9,13,21-23H,3H2,(H,16,17)(H2,14,18,19)/t6-,8-,9-,13-/m1/s1 SARCUIHUUGEKRL-HTVVRFAVSA-N 50119147 (2R,3R,4S,5R)-2-[6-Amino-2-(1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98849 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119147&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330819 104012395 CHEMBL98849 ZINC13818960 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215434 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC2CCCCC2)c1 InChI=1S/C22H31N7O4/c23-19-16-21(29(12-24-16)22-18(32)17(31)15(11-30)33-22)27-20(26-19)14-9-25-28(10-14)8-4-7-13-5-2-1-3-6-13/h9-10,12-13,15,17-18,22,30-32H,1-8,11H2,(H2,23,26,27)/t15-,17-,18-,22-/m1/s1 LFHIQESWUFPNSZ-UVLLPENVSA-N 50119156 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(3-cyclohexyl-propyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL100876 Adenosine receptor A2a Homo sapiens 6680 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119156&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330697 104012404 CHEMBL100876 ZINC13818985 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215436 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCc2ccccc2)c1 InChI=1S/C21H23N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,16-17,21,29-31H,6-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1 GAQVVAKOAPHOLM-VGKBRBPRSA-N 50119157 (2R,3R,4S,5R)-2-[6-Amino-2-(1-phenethyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL101663 Adenosine receptor A2a Homo sapiens 5900 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119157&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330792 104012405 CHEMBL101663 ZINC13818976 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215437 CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15-/m1/s1 QFSPXHGURMNPTE-ORXWAGORSA-N 50119152 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid ethylamide::CHEMBL99169 Adenosine receptor A2a Homo sapiens 380 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119152&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9865924 104012400 CHEMBL99169 ZINC13818947 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215438 CCCc1c(C)nn(c1C)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H25N7O4/c1-4-5-10-8(2)23-25(9(10)3)18-21-15(19)12-16(22-18)24(7-20-12)17-14(28)13(27)11(6-26)29-17/h7,11,13-14,17,26-28H,4-6H2,1-3H3,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1 ZTJVUGPKJYWOLL-LSCFUAHRSA-N 50119159 (2R,3R,4S,5R)-2-[6-Amino-2-(3,5-dimethyl-4-propyl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98973 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119159&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330736 104012407 CHEMBL98973 ZINC13818934 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215441 CN(C)C(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C17H22N8O5/c1-23(2)10(27)5-24-4-8(3-20-24)15-21-14(18)11-16(22-15)25(7-19-11)17-13(29)12(28)9(6-26)30-17/h3-4,7,9,12-13,17,26,28-29H,5-6H2,1-2H3,(H2,18,21,22)/t9-,12-,13-,17-/m1/s1 QYLZGQFVJRXRPQ-DMEFTLKTSA-N 50119155 2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-N,N-dimethyl-acetamide::CHEMBL100513 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119155&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330661 104012403 CHEMBL100513 ZINC13818999 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215443 Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C14H17N7O4/c1-20-3-6(2-17-20)12-18-11(15)8-13(19-12)21(5-16-8)14-10(24)9(23)7(4-22)25-14/h2-3,5,7,9-10,14,22-24H,4H2,1H3,(H2,15,18,19)/t7-,9-,10-,14-/m1/s1 AMMBIFRFVRSMSP-AKAIJSEGSA-N 50119162 (2R,3R,4S,5R)-2-[6-Amino-2-(1-methyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL318264 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119162&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21054078 104012410 CHEMBL318264 ZINC13818962 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215445 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20-/m1/s1 KPSCXMWTKCJXGG-KHTYJDQRSA-N 50119161 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid 4-chloro-benzylamide::CHEMBL97937 Adenosine receptor A2a Homo sapiens 710 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119161&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9870616 104012409 CHEMBL97937 ZINC13818951 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215447 NC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13-/m1/s1 NQRSQXXWXGXYDU-HTVVRFAVSA-N 50119138 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide::CHEMBL101383 Adenosine receptor A2a Homo sapiens 1350 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119138&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9864445 104012386 CHEMBL101383 ZINC13818941 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215448 CC(C)(C)c1ccc(Cn2cc(cn2)-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 InChI=1S/C24H29N7O4/c1-24(2,3)15-6-4-13(5-7-15)9-30-10-14(8-27-30)21-28-20(25)17-22(29-21)31(12-26-17)23-19(34)18(33)16(11-32)35-23/h4-8,10,12,16,18-19,23,32-34H,9,11H2,1-3H3,(H2,25,28,29)/t16-,18-,19-,23-/m1/s1 LXIJGOPVTSVKPS-DYVMYPEFSA-N 50119160 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(4-tert-butyl-benzyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL98802 Adenosine receptor A2a Homo sapiens 2420 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119160&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20759175 104012408 CHEMBL98802 ZINC13818988 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215449 COC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H19N7O6/c1-28-9(25)4-22-3-7(2-19-22)14-20-13(17)10-15(21-14)23(6-18-10)16-12(27)11(26)8(5-24)29-16/h2-3,6,8,11-12,16,24,26-27H,4-5H2,1H3,(H2,17,20,21)/t8-,11-,12-,16-/m1/s1 XMDXEWGDSLLCLI-LKGUXBDMSA-N 50119140 CHEMBL100992::{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-acetic acid methyl ester Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119140&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330838 104012388 CHEMBL100992 ZINC13818958 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215452 CCOC(=O)CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H22N8O7/c1-2-32-10(28)4-20-16(31)8-3-22-26(5-8)18-23-14(19)11-15(24-18)25(7-21-11)17-13(30)12(29)9(6-27)33-17/h3,5,7,9,12-13,17,27,29-30H,2,4,6H2,1H3,(H,20,31)(H2,19,23,24)/t9-,12-,13-,17-/m1/s1 RVAOXOAMYXAESW-DMEFTLKTSA-N 50119164 ({1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carbonyl}-amino)-acetic acid ethyl ester::CHEMBL318732 Adenosine receptor A2a Homo sapiens 980.0 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119164&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9934039 104012412 CHEMBL318732 ZINC13818954 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215453 CNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H20N8O5/c1-18-9(26)4-23-3-7(2-20-23)14-21-13(17)10-15(22-14)24(6-19-10)16-12(28)11(27)8(5-25)29-16/h2-3,6,8,11-12,16,25,27-28H,4-5H2,1H3,(H,18,26)(H2,17,21,22)/t8-,11-,12-,16-/m1/s1 PKCCDHLPYXYKMT-LKGUXBDMSA-N 50119146 2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-N-methyl-acetamide::CHEMBL316729 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119146&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330671 104012394 CHEMBL316729 ZINC13818993 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215455 CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15-/m1/s1 HGPFIABPLAGCNQ-ORXWAGORSA-N 50119167 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid dimethylamide::CHEMBL415118 Adenosine receptor A2a Homo sapiens 440.0 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119167&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9887467 104012415 CHEMBL415118 ZINC13818945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215456 CCCNC(=O)Cn1cc(cn1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H24N8O5/c1-2-3-20-11(28)6-25-5-9(4-22-25)16-23-15(19)12-17(24-16)26(8-21-12)18-14(30)13(29)10(7-27)31-18/h4-5,8,10,13-14,18,27,29-30H,2-3,6-7H2,1H3,(H,20,28)(H2,19,23,24)/t10-,13-,14-,18-/m1/s1 OZGYAOUFRAIHMJ-OXQGGJHDSA-N 50119154 2-{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-N-propyl-acetamide::CHEMBL98023 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119154&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330675 104012402 CHEMBL98023 ZINC13818997 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215457 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCCC=C)c1 InChI=1S/C18H23N7O4/c1-2-3-4-5-24-7-10(6-21-24)16-22-15(19)12-17(23-16)25(9-20-12)18-14(28)13(27)11(8-26)29-18/h2,6-7,9,11,13-14,18,26-28H,1,3-5,8H2,(H2,19,22,23)/t11-,13-,14-,18-/m1/s1 MJLSFASCYUXQKU-XWXWGSFUSA-N 50119151 (2R,3R,4S,5R)-2-[6-Amino-2-(1-pent-4-enyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL319608 Adenosine receptor A2a Homo sapiens 1710 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119151&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330820 104012399 CHEMBL319608 ZINC26748793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215458 CCCNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C17H22N8O5/c1-2-3-19-15(29)8-4-21-25(5-8)17-22-13(18)10-14(23-17)24(7-20-10)16-12(28)11(27)9(6-26)30-16/h4-5,7,9,11-12,16,26-28H,2-3,6H2,1H3,(H,19,29)(H2,18,22,23)/t9-,11-,12-,16-/m1/s1 SOZFXTLKGLGATP-UBEDBUPSSA-N 50119165 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid propylamide::CHEMBL98659 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119165&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330870 104012413 CHEMBL98659 ZINC13818949 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215461 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCO)c1 InChI=1S/C15H19N7O5/c16-12-9-14(20-13(19-12)7-3-18-21(4-7)1-2-23)22(6-17-9)15-11(26)10(25)8(5-24)27-15/h3-4,6,8,10-11,15,23-26H,1-2,5H2,(H2,16,19,20)/t8-,10-,11-,15-/m1/s1 UPCODELBAZVMLR-ORXWAGORSA-N 50119158 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-hydroxy-ethyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL328642 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119158&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330651 104012406 CHEMBL328642 ZINC13819001 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215462 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CC(O)=O)c1 InChI=1S/C15H17N7O6/c16-12-9-14(20-13(19-12)6-1-18-21(2-6)3-8(24)25)22(5-17-9)15-11(27)10(26)7(4-23)28-15/h1-2,5,7,10-11,15,23,26-27H,3-4H2,(H,24,25)(H2,16,19,20)/t7-,10-,11-,15-/m1/s1 ULAYZWXYKFTLCQ-YPKZDWGUSA-N 50119163 CHEMBL319949::{4-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-pyrazol-1-yl}-acetic acid Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119163&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330672 104012411 CHEMBL319949 ZINC13818991 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215463 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1 InChI=1S/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18-/m1/s1 RCZJMXUMKREDMI-SCFUHWHPSA-N 50119166 (2R,3R,4S,5R)-2-{6-Amino-2-[4-(4-chloro-phenyl)-pyrazol-1-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL318483 Adenosine receptor A2a Homo sapiens 1120 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119166&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9911298 104012414 CHEMBL318483 ZINC13818928 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215464 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1 FLKLBEIFDXKPBA-XNIJJKJLSA-N 50119134 (2R,3R,4S,5R)-2-(6-Amino-2-{N'-[1-cyclohexyl-meth-(Z)-ylidene]-hydrazino}-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL102116 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119134&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56618357 104012382 CHEMBL102116 ZINC13819003 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50215465 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(CCC2CCCCC2)c1 InChI=1S/C21H29N7O4/c22-18-15-20(28(11-23-15)21-17(31)16(30)14(10-29)32-21)26-19(25-18)13-8-24-27(9-13)7-6-12-4-2-1-3-5-12/h8-9,11-12,14,16-17,21,29-31H,1-7,10H2,(H2,22,25,26)/t14-,16-,17-,21-/m1/s1 OTOIUXZTJYMLMD-VGKBRBPRSA-N 50119169 (2R,3R,4S,5R)-2-{6-Amino-2-[1-(2-cyclohexyl-ethyl)-1H-pyrazol-4-yl]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL99052 Adenosine receptor A2a Homo sapiens 3430 ChEMBL 10.1016/s0960-894x(02)00609-1 10.7270/Q2NK3DDV 12270178 Palle, VP; Elzein, EO; Gothe, SA; Li, Z; Gao, Z; Meyer, S; Blackburn, B; Zablocki, JA CV Therapeutics http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119169&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44330775 104012417 CHEMBL99052 ZINC13818983 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211140 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 InChI=1S/C21H23ClN6O3S/c1-23-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(32-2)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1 TUKMYFNCYLCVRZ-YIVQXCEWSA-N 50163027 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-(methylthio)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-chlorobenzylamino)-2-methylsulfanyl-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175814 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163027&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71457990 104049120 CHEMBL175814 ZINC13611569 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211143 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12 InChI=1S/C22H23ClN6O3/c1-24-20(32)22-8-12(22)15(16(30)17(22)31)29-9-25-14-18(27-21(23)28-19(14)29)26-13-7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13,15-17,30-31H,7-8H2,1H3,(H,24,32)(H,26,27,28)/t11?,12-,13?,15-,16+,17+,22-/m1/s1 VAIQCVDAELUCHP-AGUANMGMSA-N 50163004 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(2-phenylcyclopropylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2-phenylcyclopropylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL411861 Adenosine receptor A2a Homo sapiens 4800 ChEMBL 10.1016/j.bmcl.2008.04.001 10.7270/Q2XK8GFH 18424135 Melman, A; Gao, ZG; Kumar, D; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163004&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71456195 104049097 CHEMBL411861 ZINC13611564 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210462 C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2 QZTNGJKCJJXWQM-UHFFFAOYSA-N 50116371 3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL114832 Adenosine receptor A2a Homo sapiens 161 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116371&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9974009 104010119 CHEMBL114832 ZINC13475106 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210464 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2 IEYFOMQJJXPYHX-UHFFFAOYSA-N 50116373 1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL326319 Adenosine receptor A2a Homo sapiens 96 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116373&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11099564 104010121 CHEMBL326319 ZINC13475107 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210476 CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3 GWMULTMVYLNOQD-UHFFFAOYSA-N 50116372 1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL112098 Adenosine receptor A2a Homo sapiens 385 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116372&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11090423 104010120 CHEMBL112098 ZINC13475100 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210480 CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3 LDLBAAURBBVHGB-UHFFFAOYSA-N 50116370 1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL322250 Adenosine receptor A2a Homo sapiens 119 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116370&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10359522 104010118 CHEMBL322250 ZINC13475098 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210485 CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3 YEHUFKUQNJXVNS-UHFFFAOYSA-N 50116379 1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL113512 Adenosine receptor A2a Homo sapiens 584 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116379&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11056301 104010127 CHEMBL113512 ZINC13475102 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210489 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1 InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2 SGNCTBLOFLIZCK-UHFFFAOYSA-N 50116384 1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL112923 Adenosine receptor A2a Homo sapiens 242 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116384&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10472803 104010132 CHEMBL112923 ZINC13475103 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50210490 O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1 InChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2 MRCLOFVOQWMJPM-UHFFFAOYSA-N 50116381 1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione::CHEMBL419394 Adenosine receptor A2a Homo sapiens 25800 ChEMBL 10.1021/jm0208469 10.7270/Q2H994JM 12139445 Priego, EM; von Frijtag Drabbe Kuenzel, J; IJzerman, AP; Camarasa, MJ; Perez-Perez, MJ Instituto de Química Médica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50116381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50116381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10970979 104010129 CHEMBL419394 ZINC13475110 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211605 Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1 KHRCLUNNZRRZTF-UHFFFAOYSA-O 50117108 4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-pyridinium; chloride::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine hydrochloride::CHEMBL118923 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117108&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10905713 104010721 CHEMBL118923 ZINC13475415 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211609 Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27) KHRCLUNNZRRZTF-UHFFFAOYSA-N 50117109 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-pyridin-4-yl-urea::5-[[(4-pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine::CHEMBL332091 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117109&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9887859 104010722 CHEMBL332091 ZINC13475415 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211614 Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)S(O)(=O)=O)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O5S/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(27)19-10-4-6-11(7-5-10)32(28,29)30/h2-9H,1H3,(H,28,29,30)(H2,19,21,22,23,27) BXKRONFNAOPLMU-UHFFFAOYSA-N 50109450 4-(3-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)ureido)benzenesulfonic acid::4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-ureido]-benzenesulfonic acid::CHEMBL324512 Adenosine receptor A2a Homo sapiens 594 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109450&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9803992 104004400 CHEMBL324512 ZINC13472321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211616 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381.0 ChEMBL 10.1021/jm020974x 10.7270/Q2SN08B3 12166930 Maconi, A; Pastorin, G; Da Ros, T; Spalluto, G; Gao, ZG; Jacobson, KA; Baraldi, PG; Cacciari, B; Varani, K; Moro, S; Borea, PA TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211778 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1 InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21) ODRIUSPRMZPRHG-UHFFFAOYSA-N 50117216 5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333860 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117216&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9884776 104010791 CHEMBL333860 ZINC13475528 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211779 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1 InChI=1S/C17H18N6O/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-5-7-12(9-11)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19) CVFTYEHUWFKCFO-UHFFFAOYSA-N 50117214 5-Butyl-8-(3-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123172 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117214&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10860239 104010789 CHEMBL123172 ZINC13475525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211782 CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30) CJRNHKSLHHWUAB-UHFFFAOYSA-N 85618 CHEMBL302765::J1.251.181G::MRE 3008F20 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85618&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5310960 136351718 CHEMBL302765 ZINC00602413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211783 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl InChI=1S/C16H15ClN6/c1-2-3-8-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,19) CIDJGGNJGCMAMZ-UHFFFAOYSA-N 50117217 5-Butyl-8-(2-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL124788 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117217&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10980336 104010792 CHEMBL124788 ZINC13475513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211784 CCCCc1nc2ncnc2c2nc(C)[nH]n12 InChI=1S/C11H14N6/c1-3-4-5-8-15-10-9(12-6-13-10)11-14-7(2)16-17(8)11/h6H,3-5H2,1-2H3,(H,14,16) BRJVEDMRFCBJJP-UHFFFAOYSA-N 50117218 5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123310 Adenosine receptor A2a Homo sapiens 46 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117218&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10857271 104010793 CHEMBL123310 ZINC13475509 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211787 CCCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20) FXPQXNWVRJVPNB-UHFFFAOYSA-N 50117221 5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123203 Adenosine receptor A2a Homo sapiens 7800 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10860187 104010796 CHEMBL123203 ZINC13475507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211793 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(O)cc1 InChI=1S/C16H16N6O/c1-2-3-4-12-19-15-13(17-9-18-15)16-20-14(21-22(12)16)10-5-7-11(23)8-6-10/h5-9,23H,2-4H2,1H3,(H,17,18) XXKZVRKPSOZFQP-UHFFFAOYSA-N 50117224 4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-phenol::CHEMBL123450 Adenosine receptor A2a Homo sapiens 58 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117224&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11055941 104010799 CHEMBL123450 ZINC13475523 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211795 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(C)c1 InChI=1S/C17H18N6/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19) SSTQNDMKRISULN-UHFFFAOYSA-N 50117226 5-Butyl-8-m-tolyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122685 Adenosine receptor A2a Homo sapiens 188 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10957741 104010801 CHEMBL122685 ZINC13475518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211798 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) IOICVMMVGWPRCC-UHFFFAOYSA-N 50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9863684 104010790 CHEMBL123705 ZINC13475521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211804 Cc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C13H10N6/c1-8-16-12-10(14-7-15-12)13-17-11(18-19(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15) MGPAPZZAOLVOQS-UHFFFAOYSA-N 50117230 5-Methyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL339655 Adenosine receptor A2a Homo sapiens 550 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11107752 104010805 CHEMBL339655 ZINC13475502 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211807 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) MQQDQTRQZFWLNZ-UHFFFAOYSA-N 50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117223&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10358755 104010798 CHEMBL331111 ZINC13475526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211812 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(F)cc1 InChI=1S/C16H15FN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19) GFMITWSKUGIEPN-UHFFFAOYSA-N 50117231 5-Butyl-8-(4-fluoro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333415 Adenosine receptor A2a Homo sapiens 510 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11077775 104010806 CHEMBL333415 ZINC13475516 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211814 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) MQQDQTRQZFWLNZ-UHFFFAOYSA-N 50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111 Adenosine receptor A2a Homo sapiens 892 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117223&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10358755 104010798 CHEMBL331111 ZINC13475526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211816 CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17) PLBAAFYUPQVOCF-UHFFFAOYSA-N 50117234 8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123465 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11747879 104010809 CHEMBL123465 ZINC13475504 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211817 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1 InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20) JSVCNDDQYUWICG-UHFFFAOYSA-N 50117222 5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122819 Adenosine receptor A2a Homo sapiens 572 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117222&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10065588 104010797 CHEMBL122819 ZINC13475527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211820 CCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C14H12N6/c1-2-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16) ZHYRTKIVUDZAJQ-UHFFFAOYSA-N 50117220 5-Ethyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL330873 Adenosine receptor A2a Homo sapiens 360 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11065314 104010795 CHEMBL330873 ZINC13475503 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211826 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19) YXDMIGODCMWMTD-UHFFFAOYSA-N 50117238 5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL121339 Adenosine receptor A2a Homo sapiens 2600 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117238&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10903531 104010813 CHEMBL121339 ZINC13475515 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211828 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(C)cc1 InChI=1S/C17H18N6/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,19) KCSLWOXSOHGHCR-UHFFFAOYSA-N 50117225 5-Butyl-8-p-tolyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL332742 Adenosine receptor A2a Homo sapiens 180 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117225&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10870495 104010800 CHEMBL332742 ZINC13475519 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211830 COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12 InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3 MLNHYWWTTFZRTB-UHFFFAOYSA-N 50059375 5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimidin-7-one::CHEMBL89472 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059375&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9881967 103955216 CHEMBL89472 ZINC13475532 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211836 c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1 InChI=1S/C18H12N6/c1-3-7-12(8-4-1)15-21-18-14-16(20-11-19-14)22-17(24(18)23-15)13-9-5-2-6-10-13/h1-11H,(H,19,20) XWVKFRCJHLHYHT-UHFFFAOYSA-N 50117237 5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL330982 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117237&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11130761 104010812 CHEMBL330982 ZINC13475508 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211840 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18) LTQQXOYFDPLYHI-UHFFFAOYSA-N 50117232 5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122512 Adenosine receptor A2a Homo sapiens 71 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117232&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11779096 104010807 CHEMBL122512 ZINC13475505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211842 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1 InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20) JSVCNDDQYUWICG-UHFFFAOYSA-N 50117222 5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122819 Adenosine receptor A2a Homo sapiens 3800 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117222&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10065588 104010797 CHEMBL122819 ZINC13475527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211844 CCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C17H18N6/c1-2-3-5-10-13-20-16-14(18-11-19-16)17-21-15(22-23(13)17)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,18,19) CFXLUAWKGPSLGN-UHFFFAOYSA-N 50117228 5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122511 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117228&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11098814 104010803 CHEMBL122511 ZINC13475506 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211845 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cc(OC)c(OC)c(OC)c1 InChI=1S/C19H22N6O3/c1-5-6-7-14-22-18-15(20-10-21-18)19-23-17(24-25(14)19)11-8-12(26-2)16(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H,20,21) BZGUKWZZBROAAA-UHFFFAOYSA-N 50117236 5-Butyl-8-(3,4,5-trimethoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL333535 Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117236&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929872 104010811 CHEMBL333535 ZINC13475529 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211848 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccnc1 InChI=1S/C15H15N7/c1-2-3-6-11-19-14-12(17-9-18-14)15-20-13(21-22(11)15)10-5-4-7-16-8-10/h4-5,7-9H,2-3,6H2,1H3,(H,17,18) AOQQKAFTTRHCAS-UHFFFAOYSA-N 50117242 5-Butyl-8-pyridin-3-yl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123195 Adenosine receptor A2a Homo sapiens 900 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117242 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117242&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10891692 104010817 CHEMBL123195 ZINC13475511 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211851 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20) KYKFWXJBEABAMM-UHFFFAOYSA-N 50117239 CHEMBL123462::[4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-phenyl]-dimethyl-amine Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117239 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117239&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11142249 104010814 CHEMBL123462 ZINC13475531 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211852 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccco1 InChI=1S/C14H14N6O/c1-2-3-6-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-5-4-7-21-9/h4-5,7-8H,2-3,6H2,1H3,(H,15,16) BCDHSTOVMGOMCW-UHFFFAOYSA-N 50117240 5-Butyl-8-furan-2-yl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL125647 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117240 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117240&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10858948 104010815 CHEMBL125647 ZINC13475512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211854 CCCCc1nc2ncnc2c2nc(Cc3ccccc3)[nH]n12 InChI=1S/C17H18N6/c1-2-3-9-14-21-16-15(18-11-19-16)17-20-13(22-23(14)17)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,20,22) PWYFYZLBTUQXPT-UHFFFAOYSA-N 50117229 8-Benzyl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122928 Adenosine receptor A2a Homo sapiens 47 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117229&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11055889 104010804 CHEMBL122928 ZINC13475510 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211856 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1 InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19) YGQXYWAAJBCJOW-UHFFFAOYSA-N 50117227 5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122667 Adenosine receptor A2a Homo sapiens 56 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117227&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11727152 104010802 CHEMBL122667 ZINC13475514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50211858 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C16H15BrN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19) AEVGFNXLWBWXCW-UHFFFAOYSA-N 50117241 8-(4-Bromo-phenyl)-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123144 Adenosine receptor A2a Homo sapiens 3300 ChEMBL 10.1021/jm010570p 10.7270/Q2154GCW 12166943 Okamura, T; Kurogi, Y; Nishikawa, H; Hashimoto, K; Fujiwara, H; Nagao, Y Nutrition Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117241 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117241&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10948682 104010816 CHEMBL123144 ZINC13475517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218556 CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1 InChI=1S/C14H13N5O/c1-9-8-19-13(15-9)17-12(11-6-4-3-5-7-11)18-14(19)16-10(2)20/h3-8H,1-2H3,(H,15,16,17,18,20) SRUOLADFFUHQTN-UHFFFAOYSA-N 50120753 CHEMBL421782::N-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-acetamide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120753&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11821574 104013795 CHEMBL421782 ZINC13491998 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218557 Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C19H23N5/c1-14-13-24-18(20-12-15-8-4-2-5-9-15)22-17(23-19(24)21-14)16-10-6-3-7-11-16/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,20,21,22,23) CPUVAWGVKDVBDZ-UHFFFAOYSA-N 50120754 CHEMBL147913::Cyclohexylmethyl-(7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120754&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11834222 104013796 CHEMBL147913 ZINC13491996 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218560 CCc1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1 InChI=1S/C16H17N5O/c1-3-13-10-21-15(17-9-11(2)22)19-14(20-16(21)18-13)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,17,18,19,20) TXGOBCSSUGPHCT-UHFFFAOYSA-N 50120755 1-(7-Ethyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-propan-2-one::CHEMBL356507 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120755&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10968439 104013797 CHEMBL356507 ZINC13492007 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218561 CCC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1 InChI=1S/C16H17N5O/c1-3-13(22)9-17-15-19-14(12-7-5-4-6-8-12)20-16-18-11(2)10-21(15)16/h4-8,10H,3,9H2,1-2H3,(H,17,18,19,20) UNEJRXOOCSPBHJ-UHFFFAOYSA-N 50120756 1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-butan-2-one::CHEMBL357024 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120756&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11109201 104013798 CHEMBL357024 ZINC13492003 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218566 Cc1cn2c(N)nc(nc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-7-17-11(13)15-10(16-12(17)14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16) OFMKYUJLYPYZDV-UHFFFAOYSA-N 50120757 7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamine::CHEMBL358341 Adenosine receptor A2a Homo sapiens 682.0 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120757&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10878835 104013799 CHEMBL358341 ZINC13491993 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218574 O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1 InChI=1S/C23H21N5O/c29-21(18-13-7-8-14-18)27-23-26-20(17-11-5-2-6-12-17)25-22-24-19(15-28(22)23)16-9-3-1-4-10-16/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26,27,29) MGGUVXIOYHCEOC-UHFFFAOYSA-N 50120764 CHEMBL149732::Cyclopentanecarboxylic acid (2,7-diphenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amide Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120764&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11058084 104013806 CHEMBL149732 ZINC13492006 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218576 Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C19H21N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,20,21,22,23,25) AAZSAJNRFPVZLB-UHFFFAOYSA-N 50120760 CHEMBL343256::Cyclohexanecarboxylic acid (7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120760&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11823876 104013802 CHEMBL343256 ZINC13492000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218579 Cc1cn2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1 InChI=1S/C19H15N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22,23,25) CQGMFKIUPNACMB-UHFFFAOYSA-N 50120759 CHEMBL146479::N-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-benzamide::N-(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)benzamide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120759&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10914466 104013801 CHEMBL146479 ZINC13492001 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218587 Cc1cn2c(NC3CCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C17H19N5/c1-12-11-22-16(18-12)20-15(13-7-3-2-4-8-13)21-17(22)19-14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,18,19,20,21) SUVBNOIILHXKCI-UHFFFAOYSA-N 50120758 CHEMBL148074::Cyclopentyl-(7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amine Adenosine receptor A2a Homo sapiens 4100 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120758&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11000858 104013800 CHEMBL148074 ZINC13491994 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218590 CC(C)c1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C20H23N5O/c1-13(2)16-12-25-19(21-16)22-17(14-8-4-3-5-9-14)23-20(25)24-18(26)15-10-6-7-11-15/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,21,22,23,24,26) OFPIEKUICFGVGC-UHFFFAOYSA-N 50120767 CHEMBL148464::Cyclopentanecarboxylic acid (7-isopropyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10893465 104013809 CHEMBL148464 ZINC13492005 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218591 CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1 InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19) VGUQKUXXKQGMDW-UHFFFAOYSA-N 50120765 1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-propan-2-one::CHEMBL146234 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10062252 104013807 CHEMBL146234 ZINC13492002 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218592 CC(=O)CNc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1 InChI=1S/C20H17N5O/c1-14(26)12-21-19-23-18(16-10-6-3-7-11-16)24-20-22-17(13-25(19)20)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,21,22,23,24) GKXQLSQLVFHAIT-UHFFFAOYSA-N 50120762 1-(2,7-Diphenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-propan-2-one::CHEMBL147893 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10958838 104013804 CHEMBL147893 ZINC13492009 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218597 CC(C)c1cn2c(NCC(C)=O)nc(nc2n1)-c1ccccc1 InChI=1S/C17H19N5O/c1-11(2)14-10-22-16(18-9-12(3)23)20-15(21-17(22)19-14)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,18,19,20,21) ITKMYMMFUQHXGN-UHFFFAOYSA-N 50120768 1-(7-Isopropyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-ylamino)-propan-2-one::CHEMBL144482 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120768&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10892251 104013810 CHEMBL144482 ZINC13492008 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218599 CC(=O)Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1 InChI=1S/C19H15N5O/c1-13(25)20-18-22-17(15-10-6-3-7-11-15)23-19-21-16(12-24(18)19)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,21,22,23,25) PSZMXLITWRKOKN-UHFFFAOYSA-N 50120766 CHEMBL147582::N-(2,7-Diphenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-acetamide Adenosine receptor A2a Homo sapiens 3200 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11045730 104013808 CHEMBL147582 ZINC13492010 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218600 Cc1cn2c(NC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)nc(nc2n1)-c1ccccc1 InChI=1S/C22H25N5/c1-14-13-27-20(23-14)24-19(18-5-3-2-4-6-18)25-21(27)26-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13,15-17H,7-12H2,1H3,(H,23,24,25,26)/t15-,16+,17-,22? NFKOJNZWQBLXTJ-JUULQMJNSA-N 50120770 Adamantan-1-yl-(7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amine::CHEMBL145822 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10937272 104013812 CHEMBL145822 ZINC13491995 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218601 Cc1cn2c(NCc3ccccc3)nc(nc2n1)-c1ccccc1 InChI=1S/C19H17N5/c1-14-13-24-18(20-12-15-8-4-2-5-9-15)22-17(23-19(24)21-14)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,20,21,22,23) YDAFKIGFYZEORE-UHFFFAOYSA-N 50120769 Benzyl-(7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amine::CHEMBL148088 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10979983 104013811 CHEMBL148088 ZINC13491997 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218605 CCc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C19H21N5O/c1-2-15-12-24-18(20-15)21-16(13-8-4-3-5-9-13)22-19(24)23-17(25)14-10-6-7-11-14/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21,22,23,25) RGWDXSHSTWLQKS-UHFFFAOYSA-N 50120763 CHEMBL358076::Cyclopentanecarboxylic acid (7-ethyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amide Adenosine receptor A2a Homo sapiens 2600 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10925715 104013805 CHEMBL358076 ZINC13492004 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50218609 Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1 InChI=1S/C18H19N5O/c1-12-11-23-17(19-12)20-15(13-7-3-2-4-8-13)21-18(23)22-16(24)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21,22,24) BSNJZTLENAKNNX-UHFFFAOYSA-N 50120761 CHEMBL355898::Cyclopentanecarboxylic acid (7-methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-yl)-amide Adenosine receptor A2a Homo sapiens 4300 ChEMBL 10.1021/jm020911e 10.7270/Q2JH3KHN 12408713 Novellino, E; Abignente, E; Cosimelli, B; Greco, G; Iadanza, M; Laneri, S; Lavecchia, A; Rimoli, MG; Settimo, FD; Primofiore, G; Tuscano, D; Trincavelli, L; Martini, C Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50120761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50120761&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11759055 104013803 CHEMBL355898 ZINC13491999 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50214189 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3 ANTKBACNWQHQJE-UHFFFAOYSA-N 50326219 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one::CHEMBL1242950::CHEMBL2206334 Adenosine receptor A2a Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326219&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9948320 123105334 CHEMBL2206334CHEMBL1242950 289 ZINC02022527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50214234 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1 InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28) FLGSUSWMWSZVMP-UHFFFAOYSA-N 50326218 CHEMBL1242923::N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]-piperidin-4-yl}-2-phenylacetamide Adenosine receptor A2a Homo sapiens <1000 ChEMBL 10.1021/jm100697g 10.7270/Q2765G9K 20684563 Sams, AG; Hentzer, M; Mikkelsen, GK; Larsen, K; Bundgaard, C; Plath, N; Christoffersen, CT; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50326218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50326218&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44207909 123105333 CHEMBL1242923 5435 ZINC64573958 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236835 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 70 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236836 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236838 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(=O)CCCCN=[N+]=[N-])c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C34H40N12O9/c1-2-37-32(51)29-27(49)28(50)33(55-29)45-18-39-26-30(35)42-34(43-31(26)45)38-16-14-20-8-6-19(7-9-20)10-13-24(47)41-21-11-12-23(22(17-21)46(52)53)54-25(48)5-3-4-15-40-44-36/h6-9,11-12,17-18,27-29,33,49-50H,2-5,10,13-16H2,1H3,(H,37,51)(H,41,47)(H3,35,38,42,43)/t27-,28+,29-,33+/m0/s1 YUKLIOPWFOODOO-KCIBBDPESA-N 50026818 CHEMBL3335524 Adenosine receptor A2a Homo sapiens 4360 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714541 103936402 CHEMBL3335524 ZINC28224652 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236839 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C39H47N11O10S/c1-2-41-36(55)33-31(53)32(54)37(60-33)49-19-43-30-34(40)47-38(48-35(30)49)42-16-15-21-9-7-20(8-10-21)11-14-27(51)44-22-12-13-25(24(17-22)50(57)58)59-28(52)6-4-3-5-26-29-23(18-61-26)45-39(56)46-29/h7-10,12-13,17,19,23,26,29,31-33,37,53-54H,2-6,11,14-16,18H2,1H3,(H,41,55)(H,44,51)(H2,45,46,56)(H3,40,42,47,48)/t23-,26-,29-,31-,32+,33-,37+/m0/s1 MUXUIVVLQXFMRX-CXJTVLAKSA-N 50026819 CHEMBL3335525 Adenosine receptor A2a Homo sapiens 3280 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714542 103936403 CHEMBL3335525 ZINC28227916 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236841 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C29H33N9O8/c1-2-31-27(43)24-22(41)23(42)28(46-24)37-14-33-21-25(30)35-29(36-26(21)37)32-12-11-16-5-3-15(4-6-16)7-10-20(40)34-17-8-9-19(39)18(13-17)38(44)45/h3-6,8-9,13-14,22-24,28,39,41-42H,2,7,10-12H2,1H3,(H,31,43)(H,34,40)(H3,30,32,35,36)/t22-,23+,24-,28+/m0/s1 UXTWNGBPJFUVIK-NLJXWPIHSA-N 50026817 CHEMBL3335526 Adenosine receptor A2a Homo sapiens 267 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714543 103936401 CHEMBL3335526 ZINC28229039 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236855 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 2.1 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236856 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A2a Homo sapiens 5.9 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236859 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236888 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A2a Homo sapiens 5.0 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236898 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(=O)CCCCN=[N+]=[N-])c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C34H40N12O9/c1-2-37-32(51)29-27(49)28(50)33(55-29)45-18-39-26-30(35)42-34(43-31(26)45)38-16-14-20-8-6-19(7-9-20)10-13-24(47)41-21-11-12-23(22(17-21)46(52)53)54-25(48)5-3-4-15-40-44-36/h6-9,11-12,17-18,27-29,33,49-50H,2-5,10,13-16H2,1H3,(H,37,51)(H,41,47)(H3,35,38,42,43)/t27-,28+,29-,33+/m0/s1 YUKLIOPWFOODOO-KCIBBDPESA-N 50026818 CHEMBL3335524 Adenosine receptor A2a Homo sapiens 3.2 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714541 103936402 CHEMBL3335524 ZINC28224652 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236899 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A2a Homo sapiens 2.2 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50236900 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)Nc4ccc(OC(C)=O)c(c4)[N+]([O-])=O)cc3)nc12 InChI=1S/C31H35N9O9/c1-3-33-29(45)26-24(43)25(44)30(49-26)39-15-35-23-27(32)37-31(38-28(23)39)34-13-12-18-6-4-17(5-7-18)8-11-22(42)36-19-9-10-21(48-16(2)41)20(14-19)40(46)47/h4-7,9-10,14-15,24-26,30,43-44H,3,8,11-13H2,1-2H3,(H,33,45)(H,36,42)(H3,32,34,37,38)/t24-,25+,26-,30+/m0/s1 FDVZSKDDSYLYNX-YRIIQKNPSA-N 50026816 CHEMBL3335523 Adenosine receptor A2a Homo sapiens 3.2 ChEMBL 10.1021/ml5002486 10.7270/Q2VD712G 25221664 Moss, SM; Jayasekara, PS; Paoletta, S; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50026816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50026816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118714540 103936400 CHEMBL3335523 ZINC28227903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50245546 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 InChI=1S/C24H27FN4O3/c25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,27,28)(H,30,31)/t15-,18- FFEXMHIYYSEWRO-RZDIXWSQSA-N 50031505 CHEMBL3342771 Adenosine receptor A2a Homo sapiens 9700 ChEMBL 10.1021/ml5003426 10.7270/Q2WQ05CX 25349648 He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031505&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71078482 103940136 CHEMBL3342771 ZINC26469399 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50245547 OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(F)ccc2[nH]1 InChI=1S/C24H27FN4O3/c25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,27,28)(H,30,31)/t15-,18+ FFEXMHIYYSEWRO-RHNCMZPLSA-N 50031504 CHEMBL3342770 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/ml5003426 10.7270/Q2WQ05CX 25349648 He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031504&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71078482 103940135 CHEMBL3342770 ZINC13741880 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243730 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc13)n1nc(nc21)-c1ccco1 InChI=1S/C27H25N7O2/c1-17(2)12-13-33-16-21-24(31-33)30-27(34-26(21)29-25(32-34)22-11-6-14-36-22)28-23(35)15-19-9-5-8-18-7-3-4-10-20(18)19/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,28,30,31,35) NVIJFOMRABGFQA-UHFFFAOYSA-N 50133360 CHEMBL336217::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A2a Homo sapiens 42 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133360&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10906943 104024191 CHEMBL336217 ZINC13527375 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243733 CC(C)CCn1cc2c(n1)nc(NC(=O)COc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H23N7O3/c1-15(2)10-11-29-13-17-20(27-29)26-23(24-19(31)14-33-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,26,27,31) GOYAQHRLQPUEKB-UHFFFAOYSA-N 50133361 CHEMBL435022::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133361&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10895565 104024192 CHEMBL435022 ZINC13527383 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243743 O=C(COc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H21N7O3/c34-22(17-36-19-10-5-2-6-11-19)27-26-29-23-20(16-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15-16H,13-14,17H2,(H,27,29,30,34) PXLNNXUUFHRPRE-UHFFFAOYSA-N 50133367 CHEMBL341777::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133367&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11826924 104024198 CHEMBL341777 ZINC13527385 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243750 Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22) PUYNLRZJFOQWRV-UHFFFAOYSA-N 50051234 2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL16867::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 0.31 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50051234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50051234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10246959 103948232 CHEMBL16867 ZINC12405951 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243751 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) OOTVLKSCGYKBDY-UHFFFAOYSA-N 50133368 CHEMBL335950::N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-(naphthalen-1-yl)acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide Adenosine receptor A2a Homo sapiens 800 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133368&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10007115 104024199 CHEMBL335950 ZINC27425704 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243762 Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H15N7O2/c1-25-11-13-16(23-25)22-19(20-15(27)10-12-6-3-2-4-7-12)26-18(13)21-17(24-26)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,22,23,27) UYEQIRAILMVJGC-UHFFFAOYSA-N 50109453 CHEMBL341376::N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-2,8-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 423.0 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109453&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11014188 104004403 CHEMBL341376 ZINC13472372 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243763 O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C30H23N7O2/c38-26(18-22-12-6-11-21-10-4-5-13-23(21)22)31-30-33-27-24(19-36(34-27)16-15-20-8-2-1-3-9-20)29-32-28(35-37(29)30)25-14-7-17-39-25/h1-14,17,19H,15-16,18H2,(H,31,33,34,38) ZWOVBVVGJSVBEE-UHFFFAOYSA-N 50133366 CHEMBL135719::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-naphthalen-1-yl-acetamide Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133366&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11762982 104024197 CHEMBL135719 ZINC13527379 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243767 O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C27H23N7O2/c35-23(17-20-11-5-2-6-12-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)18-33(31-24)15-7-13-19-9-3-1-4-10-19/h1-6,8-12,14,16,18H,7,13,15,17H2,(H,28,30,31,35) BWLSCOHOGMFEIU-UHFFFAOYSA-N 50133364 CHEMBL134566::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenyl-acetamide Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133364&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11733496 104024195 CHEMBL134566 ZINC13527371 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243773 O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H21N7O2/c34-22(16-19-10-5-2-6-11-19)27-26-29-23-20(17-32(30-23)14-13-18-8-3-1-4-9-18)25-28-24(31-33(25)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,29,30,34) NNKNPNUOGFMYAG-UHFFFAOYSA-N 50133363 CHEMBL541455::N-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenylacetamide::N-(2-Furan-2-yl-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-phenyl-acetamide Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133363&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10994216 104024194 CHEMBL541455 ZINC13527368 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243775 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381.0 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243780 O=C(COc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C27H23N7O3/c35-23(18-37-20-12-5-2-6-13-20)28-27-30-24-21(26-29-25(32-34(26)27)22-14-8-16-36-22)17-33(31-24)15-7-11-19-9-3-1-4-10-19/h1-6,8-10,12-14,16-17H,7,11,15,18H2,(H,28,30,31,35) DSJNSMNLGNQEBL-UHFFFAOYSA-N 50133365 CHEMBL138593::N-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenoxy-acetamide Adenosine receptor A2a Homo sapiens 45 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133365&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11027412 104024196 CHEMBL138593 ZINC13527388 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50243784 CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C23H23N7O2/c1-15(2)10-11-29-14-17-20(27-29)26-23(24-19(31)13-16-7-4-3-5-8-16)30-22(17)25-21(28-30)18-9-6-12-32-18/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,24,26,27,31) MXFWGZWWOLYNTJ-UHFFFAOYSA-N 50133362 CHEMBL132806::N-[2-Furan-2-yl-8-(3-methyl-butyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-phenyl-acetamide Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1021/jm030852k 10.7270/Q2348JRF 13678407 Pastorin, G; Da Ros, T; Spalluto, G; Deflorian, F; Moro, S; Cacciari, B; Baraldi, PG; Gessi, S; Varani, K; Borea, PA Università degli Studi di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50133362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50133362&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11080491 104024193 CHEMBL132806 ZINC13527365 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259806 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12 InChI=1S/C20H29N7O5/c1-2-22-18(31)15-13(29)14(30)19(32-15)27-9-23-12-16(21)25-20(26-17(12)27)24-11(28)8-7-10-5-3-4-6-10/h9-10,13-15,19,29-30H,2-8H2,1H3,(H,22,31)(H3,21,24,25,26,28)/t13-,14+,15-,19+/m0/s1 VNYJXPNVZRWZAF-QCUYGVNKSA-N 50141448 (2S,3S,4R,5R)-5-[6-Amino-2-(3-cyclopentyl-propionylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL36734 Adenosine receptor A2a Homo sapiens 10800 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141448&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284007 104030907 CHEMBL36734 ZINC29317172 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259811 Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1 KAQHTSLMUQMHLB-IWCJZZDYSA-N 50141451 CHEMBL36786::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-cyclopentyl-propionamide Adenosine receptor A2a Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141451&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284222 104030910 CHEMBL36786 ZINC29316966 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259819 Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-9-4-2-1-3-5-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1 SBJQACFELVSXPD-IWCJZZDYSA-N 50141449 CHEMBL36789::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-2-cyclohexyl-acetamide Adenosine receptor A2a Homo sapiens 2410 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141449&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284189 104030908 CHEMBL36789 ZINC29317464 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259823 Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H22N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,26,28-29H,6-8H2,(H3,20,22,23,24,27)/t11-,14-,15-,18-/m1/s1 RZWYFQWUSTWXOT-XKLVTHTNSA-N 50141456 CHEMBL289982::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-phenyl-propionamide Adenosine receptor A2a Homo sapiens 4570 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141456&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284095 104030915 CHEMBL289982 ZINC29317159 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259825 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A2a Homo sapiens 2270 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259827 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12 InChI=1S/C24H30N6O5/c31-12-16-19(33)20(34)23(35-16)30-13-25-18-21(26-15-8-4-5-9-15)28-24(29-22(18)30)27-17(32)11-10-14-6-2-1-3-7-14/h1-3,6-7,13,15-16,19-20,23,31,33-34H,4-5,8-12H2,(H2,26,27,28,29,32)/t16-,19-,20-,23-/m1/s1 OTQUGDYVSBJTMY-UGTJMOTHSA-N 50141447 CHEMBL279391::N-[6-Cyclopentylamino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-phenyl-propionamide Adenosine receptor A2a Homo sapiens 5660 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141447&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10345159 104030906 CHEMBL279391 ZINC29316226 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259828 Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H20N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,26,28-29H,8H2,(H3,20,22,23,24,27)/b7-6+/t11-,14-,15-,18-/m1/s1 DDCUXRNACUVAKE-HGBQRMJASA-N 50141455 CHEMBL285251::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-3-((E)-phenyl)-acrylamide Adenosine receptor A2a Homo sapiens 4100 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141455&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284345 104030914 CHEMBL285251 ZINC29318878 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259830 Nc1nc(NC(=O)C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H24N6O5/c18-13-10-14(21-17(20-13)22-15(27)8-4-2-1-3-5-8)23(7-19-10)16-12(26)11(25)9(6-24)28-16/h7-9,11-12,16,24-26H,1-6H2,(H3,18,20,21,22,27)/t9-,11-,12-,16-/m1/s1 INLBKVISPUBQHM-UBEDBUPSSA-N 50141454 CHEMBL288258::Cyclohexanecarboxylic acid [6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-amide Adenosine receptor A2a Homo sapiens 1780 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141454&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284065 104030913 CHEMBL288258 ZINC29317603 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259832 CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O5/c1-2-21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-11-6-4-3-5-7-11/h10-12,15-16,19,27,29-30H,2-9H2,1H3,(H2,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1 PFZHYDAXUZUAEO-BGIGGGFGSA-N 50141453 2-Cyclohexyl-N-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-ethylamino-9H-purin-2-yl]-acetamide::CHEMBL36160 Adenosine receptor A2a Homo sapiens 7750 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141453&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284223 104030912 CHEMBL36160 ZINC29319030 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259834 Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1 VQXSQGWCUHTPSZ-BGIGGGFGSA-N 50141450 CHEMBL36320::N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-4-cyclohexyl-butyramide Adenosine receptor A2a Homo sapiens 1940 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141450&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284052 104030909 CHEMBL36320 ZINC29319224 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50259838 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12 InChI=1S/C23H34N6O5/c30-11-15-18(32)19(33)22(34-15)29-12-24-17-20(25-14-7-3-4-8-14)27-23(28-21(17)29)26-16(31)10-9-13-5-1-2-6-13/h12-15,18-19,22,30,32-33H,1-11H2,(H2,25,26,27,28,31)/t15-,18-,19-,22-/m1/s1 UDHHOFDCGWIOCY-CIVUBGFFSA-N 50141452 3-Cyclopentyl-N-[6-cyclopentylamino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-propionamide::CHEMBL36098 Adenosine receptor A2a Homo sapiens 2180 ChEMBL 10.1016/j.bmcl.2004.01.011 10.7270/Q27H1J1D 15006389 Jagtap, PG; Chen, Z; Szabo, C; Klotz, KN Inotek Pharmaceuticals Corporation http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50141452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50141452&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44284209 104030911 CHEMBL36098 ZINC29315989 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256628 Cn1nc(nc1-c1cccc(CN2CC=CC2)c1)-c1ccc(cc1)N=[N+]=[N-] InChI=1S/C20H19N7/c1-26-20(17-6-4-5-15(13-17)14-27-11-2-3-12-27)22-19(24-26)16-7-9-18(10-8-16)23-25-21/h2-10,13H,11-12,14H2,1H3 GTHXQZNGOHRXLQ-UHFFFAOYSA-N 50139712 3-(4-Azido-phenyl)-5-[3-(2,5-dihydro-pyrrol-1-ylmethyl)-phenyl]-1-methyl-1H-[1,2,4]triazole::CHEMBL167977 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139712&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380025 104029544 CHEMBL167977 ZINC49926445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256630 COc1cccc(c1)-c1nnc(CC2CCCCC2)[nH]1 InChI=1S/C16H21N3O/c1-20-14-9-5-8-13(11-14)16-17-15(18-19-16)10-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,17,18,19) FEBIOZLHRSNAPM-UHFFFAOYSA-N 50139716 3-Cyclohexylmethyl-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL355390 Adenosine receptor A2a Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139716 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139716&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379976 104029548 CHEMBL355390 ZINC13589632 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256631 COc1cccc(c1)-c1nnc(CCc2ccc(Cl)c(Cl)c2)[nH]1 InChI=1S/C17H15Cl2N3O/c1-23-13-4-2-3-12(10-13)17-20-16(21-22-17)8-6-11-5-7-14(18)15(19)9-11/h2-5,7,9-10H,6,8H2,1H3,(H,20,21,22) XWWBFQPWVXANHQ-UHFFFAOYSA-N 50139714 5-[2-(3,4-Dichloro-phenyl)-ethyl]-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL168912 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139714&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379848 104029546 CHEMBL168912 ZINC13589623 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256632 COc1cccc(O)c1C=NNC(=S)Cc1ccccc1 InChI=1S/C16H16N2O2S/c1-20-15-9-5-8-14(19)13(15)11-17-18-16(21)10-12-6-3-2-4-7-12/h2-9,11,19H,10H2,1H3,(H,18,21) CVGQHIAILKWICH-UHFFFAOYSA-N 50139715 CHEMBL352821::Phenyl-thioacetic acid [1-(2-hydroxy-6-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens >5200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139715 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139715&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379964 104029547 CHEMBL352821 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256633 S=C(Cc1ccccc1)NN=Cc1cccnc1 InChI=1S/C14H13N3S/c18-14(9-12-5-2-1-3-6-12)17-16-11-13-7-4-8-15-10-13/h1-8,10-11H,9H2,(H,17,18) CFMSHGCCMISSJH-UHFFFAOYSA-N 50139717 CHEMBL166429::Phenyl-thioacetic acid [1-pyridin-3-yl-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139717&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379941 104029549 CHEMBL166429 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256637 COc1cccc(C=NNC(=S)Cc2ccccc2)c1O InChI=1S/C16H16N2O2S/c1-20-14-9-5-8-13(16(14)19)11-17-18-15(21)10-12-6-3-2-4-7-12/h2-9,11,19H,10H2,1H3,(H,18,21) NTHHHUQNTMWMTG-UHFFFAOYSA-N 50139720 CHEMBL167010::Phenyl-thioacetic acid [1-(2-hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 4700 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139720 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139720&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380253 104029552 CHEMBL167010 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256638 COc1cc(OC)c(O)c(C=NNC(=S)Cc2ccccc2)c1 InChI=1S/C17H18N2O3S/c1-21-14-9-13(17(20)15(10-14)22-2)11-18-19-16(23)8-12-6-4-3-5-7-12/h3-7,9-11,20H,8H2,1-2H3,(H,19,23) MZXFMPDTVYOQSW-UHFFFAOYSA-N 50139721 CHEMBL166548::Phenyl-thioacetic acid [1-(2-hydroxy-3,5-dimethoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 4200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139721 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139721&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379942 104029553 CHEMBL166548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256639 COc1cccc(c1)-c1nnc(Cc2ccc3ccccc3c2)[nH]1 InChI=1S/C20H17N3O/c1-24-18-8-4-7-17(13-18)20-21-19(22-23-20)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,22,23) WSENLPOEMOSAKZ-UHFFFAOYSA-N 50139718 5-(3-Methoxy-phenyl)-3-naphthalen-2-ylmethyl-1H-[1,2,4]triazole::CHEMBL167343 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139718 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139718&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379977 104029550 CHEMBL167343 ZINC13589631 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256640 COc1ccc(C=NNC(=S)Cc2ccccc2)c(O)c1 InChI=1S/C16H16N2O2S/c1-20-14-8-7-13(15(19)10-14)11-17-18-16(21)9-12-5-3-2-4-6-12/h2-8,10-11,19H,9H2,1H3,(H,18,21) XLTCCJIUIMYSBX-UHFFFAOYSA-N 50139722 CHEMBL166424::Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139722&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380115 104029554 CHEMBL166424 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256643 Clc1ccc(Cc2nnc([nH]2)-c2ccc3OCOc3c2)cc1Cl InChI=1S/C16H11Cl2N3O2/c17-11-3-1-9(5-12(11)18)6-15-19-16(21-20-15)10-2-4-13-14(7-10)23-8-22-13/h1-5,7H,6,8H2,(H,19,20,21) SCRMVJPGGOUCSS-UHFFFAOYSA-N 50139725 5-Benzo[1,3]dioxol-5-yl-3-(3,4-dichloro-benzyl)-1H-[1,2,4]triazole::CHEMBL355761 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139725&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380242 104029557 CHEMBL355761 ZINC13589636 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256644 Oc1ccc(OC(F)(F)F)cc1C=NNC(=S)Cc1ccccc1 InChI=1S/C16H13F3N2O2S/c17-16(18,19)23-13-6-7-14(22)12(9-13)10-20-21-15(24)8-11-4-2-1-3-5-11/h1-7,9-10,22H,8H2,(H,21,24) MJSFIBFJJGAFGE-UHFFFAOYSA-N 50139726 CHEMBL166104::Phenyl-thioacetic acid [1-(2-hydroxy-5-trifluoromethoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139726 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139726&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379921 104029558 CHEMBL166104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256645 COc1cccc(c1)-c1nnc(Cc2cccc(F)c2F)[nH]1 InChI=1S/C16H13F2N3O/c1-22-12-6-2-5-11(8-12)16-19-14(20-21-16)9-10-4-3-7-13(17)15(10)18/h2-8H,9H2,1H3,(H,19,20,21) FIFQRMIRQNKLJF-UHFFFAOYSA-N 50139723 3-(2,3-Difluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL166500 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139723 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139723&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380110 104029555 CHEMBL166500 ZINC13589626 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256647 C(N1CCCC1)c1cccc(c1)-c1nnc([nH]1)-c1ccc2OCCOc2c1 InChI=1S/C21H22N4O2/c1-2-9-25(8-1)14-15-4-3-5-16(12-15)20-22-21(24-23-20)17-6-7-18-19(13-17)27-11-10-26-18/h3-7,12-13H,1-2,8-11,14H2,(H,22,23,24) DRDZEWGTUSKAQJ-UHFFFAOYSA-N 50139724 5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(3-pyrrolidin-1-ylmethyl-phenyl)-1H-[1,2,4]triazole::CHEMBL424011 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139724 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139724&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21180383 104029556 CHEMBL424011 ZINC13589619 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256648 S=C(Cc1ccccc1)NN=Cc1ccccc1 InChI=1S/C15H14N2S/c18-15(11-13-7-3-1-4-8-13)17-16-12-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18) WUUMVIOLCNVQMZ-UHFFFAOYSA-N 50139729 CHEMBL354547::Phenyl-thioacetic acid [1-phenyl-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens >5200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139729&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12731783 104029561 CHEMBL354547 ZINC13589616 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256650 Oc1ccc(cc1[CH+][N-][N-]C(=[SH+])Cc1ccccc1)[N+]([O-])=O InChI=1S/C15H12N3O3S/c19-14-7-6-13(18(20)21)9-12(14)10-16-17-15(22)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H-,17,19,22)/q-1/p+1 HOTJQOVBKSAWMK-UHFFFAOYSA-O 50139728 CHEMBL168334::Phenyl-thioacetic acid [1-(2-hydroxy-5-nitro-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139728&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380164 104029560 CHEMBL168334 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256651 COc1cccc(c1)-c1nnc(CN2CCCCC2)[nH]1 InChI=1S/C15H20N4O/c1-20-13-7-5-6-12(10-13)15-16-14(17-18-15)11-19-8-3-2-4-9-19/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17,18) FPHZOWDOPQEMGX-UHFFFAOYSA-N 50139730 1-[5-(3-Methoxy-phenyl)-1H-[1,2,4]triazol-3-ylmethyl]-piperidine::CHEMBL167025 Adenosine receptor A2a Homo sapiens >5200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139730&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379970 104029562 CHEMBL167025 ZINC13589633 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256652 COc1cccc(-c2nnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c1OC InChI=1S/C17H15Cl2N3O2/c1-23-14-5-3-4-11(16(14)24-2)17-20-15(21-22-17)9-10-6-7-12(18)13(19)8-10/h3-8H,9H2,1-2H3,(H,20,21,22) ULXXHFJKLONVEQ-UHFFFAOYSA-N 50139731 3-(3,4-Dichloro-benzyl)-5-(2,3-dimethoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL168895 Adenosine receptor A2a Homo sapiens 90 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139731&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380243 104029563 CHEMBL168895 ZINC13589635 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256653 COc1cccc(c1)-c1nnc(Cc2cccc(Br)c2)[nH]1 InChI=1S/C16H14BrN3O/c1-21-14-7-3-5-12(10-14)16-18-15(19-20-16)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19,20) AMTQODPEYYUGIN-UHFFFAOYSA-N 50139719 3-(3-Bromo-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL168892 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139719 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139719&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379847 104029551 CHEMBL168892 ZINC13589624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256654 Oc1ccccc1-c1nnc([nH]1)-c1ccccc1 InChI=1S/C14H11N3O/c18-12-9-5-4-8-11(12)14-15-13(16-17-14)10-6-2-1-3-7-10/h1-9,18H,(H,15,16,17) YTGNKUSFDPGOIS-UHFFFAOYSA-N 50139732 2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol::CHEMBL167001 Adenosine receptor A2a Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139732&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5391308 104029564 CHEMBL167001 ZINC13589620 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256656 COc1cccc(c1)-c1nnc(Cc2ccccc2Br)[nH]1 InChI=1S/C16H14BrN3O/c1-21-13-7-4-6-12(9-13)16-18-15(19-20-16)10-11-5-2-3-8-14(11)17/h2-9H,10H2,1H3,(H,18,19,20) PMOODDTWYPYOMD-UHFFFAOYSA-N 50139733 3-(2-Bromo-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL353593 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139733&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380104 104029565 CHEMBL353593 ZINC13589627 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256657 COc1cccc(c1)-c1nnc([nH]1)-c1ccc(Cl)c(Cl)c1 InChI=1S/C15H11Cl2N3O/c1-21-11-4-2-3-9(7-11)14-18-15(20-19-14)10-5-6-12(16)13(17)8-10/h2-8H,1H3,(H,18,19,20) DHTUIDHJRHTUOI-UHFFFAOYSA-N 50139711 5-(3,4-Dichloro-phenyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL353602 Adenosine receptor A2a Homo sapiens 700 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139711&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380120 104029543 CHEMBL353602 ZINC13589621 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256659 COc1cccc(c1)-c1nnc(Cc2ccc(C)c(C)c2)[nH]1 InChI=1S/C18H19N3O/c1-12-7-8-14(9-13(12)2)10-17-19-18(21-20-17)15-5-4-6-16(11-15)22-3/h4-9,11H,10H2,1-3H3,(H,19,20,21) HMDXVKQTGSLYAW-UHFFFAOYSA-N 50139713 3-(3,4-Dimethyl-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::3-(3,4-dimethylbenzyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole::CHEMBL165760 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139713 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139713&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10357057 104029545 CHEMBL165760 ZINC13589628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256660 Clc1ccc(Cc2nnc([nH]2)-c2cnccn2)cc1Cl InChI=1S/C13H9Cl2N5/c14-9-2-1-8(5-10(9)15)6-12-18-13(20-19-12)11-7-16-3-4-17-11/h1-5,7H,6H2,(H,18,19,20) YWKZHIVSZSYLLC-UHFFFAOYSA-N 50139735 2-[5-(3,4-Dichloro-benzyl)-2H-[1,2,4]triazol-3-yl]-pyrazine::CHEMBL170215 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139735&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380262 104029567 CHEMBL170215 ZINC13589634 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256661 S=C(Cc1ccccc1)NN=Cc1cnc2ccccc2c1 InChI=1S/C18H15N3S/c22-18(11-14-6-2-1-3-7-14)21-20-13-15-10-16-8-4-5-9-17(16)19-12-15/h1-10,12-13H,11H2,(H,21,22) JBZHGBGUPKQCBU-UHFFFAOYSA-N 50139734 CHEMBL424526::Phenyl-thioacetic acid [1-quinolin-3-yl-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 2000 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139734&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380141 104029566 CHEMBL424526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256662 COc1cccc(c1)-c1nnc(Cc2ccc(F)c(F)c2)[nH]1 InChI=1S/C16H13F2N3O/c1-22-12-4-2-3-11(9-12)16-19-15(20-21-16)8-10-5-6-13(17)14(18)7-10/h2-7,9H,8H2,1H3,(H,19,20,21) SMIXFVAIRYQGNJ-UHFFFAOYSA-N 50139738 3-(3,4-Difluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole::CHEMBL166939 Adenosine receptor A2a Homo sapiens 70.0 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139738&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380101 104029570 CHEMBL166939 ZINC13589629 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256663 S=C(Cc1ccccc1)NN=Cc1ccccn1 InChI=1S/C14H13N3S/c18-14(10-12-6-2-1-3-7-12)17-16-11-13-8-4-5-9-15-13/h1-9,11H,10H2,(H,17,18) KKBRICYCNKVOBG-UHFFFAOYSA-N 50139736 CHEMBL168481::Phenyl-thioacetic acid [1-pyridin-2-yl-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139736&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379832 104029568 CHEMBL168481 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256664 S=C(Cc1ccccc1)NN=Cc1ccc2ccccc2n1 InChI=1S/C18H15N3S/c22-18(12-14-6-2-1-3-7-14)21-19-13-16-11-10-15-8-4-5-9-17(15)20-16/h1-11,13H,12H2,(H,21,22) ATRFONMDSXQGCL-UHFFFAOYSA-N 50139739 CHEMBL167703::Phenyl-thioacetic acid [1-quinolin-2-yl-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139739&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380142 104029571 CHEMBL167703 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256665 COc1ccc(O)c(C=NNC(=S)Cc2ccccc2)c1 InChI=1S/C16H16N2O2S/c1-20-14-7-8-15(19)13(10-14)11-17-18-16(21)9-12-5-3-2-4-6-12/h2-8,10-11,19H,9H2,1H3,(H,18,21) LRHICWCUCHKECB-UHFFFAOYSA-N 50139737 CHEMBL168424::Phenyl-thioacetic acid [1-(2-hydroxy-5-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139737&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380054 104029569 CHEMBL168424 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256666 Clc1ccc(Cc2nnc([nH]2)C2CCCNC2)cc1Cl InChI=1S/C14H16Cl2N4/c15-11-4-3-9(6-12(11)16)7-13-18-14(20-19-13)10-2-1-5-17-8-10/h3-4,6,10,17H,1-2,5,7-8H2,(H,18,19,20) CSQAVQWEDJCPLD-UHFFFAOYSA-N 50139741 3-[5-(3,4-Dichloro-benzyl)-2H-[1,2,4]triazol-3-yl]-piperidine::CHEMBL167082 Adenosine receptor A2a Homo sapiens >5200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139741&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379943 104029573 CHEMBL167082 ZINC13589638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256669 COc1cccc(c1)-c1nnc(Cc2cccc(c2)[N+]([O-])=O)[nH]1 InChI=1S/C16H14N4O3/c1-23-14-7-3-5-12(10-14)16-17-15(18-19-16)9-11-4-2-6-13(8-11)20(21)22/h2-8,10H,9H2,1H3,(H,17,18,19) OKPVJHDDXKSXNT-UHFFFAOYSA-N 50139740 5-(3-Methoxy-phenyl)-3-(3-nitro-benzyl)-1H-[1,2,4]triazole::CHEMBL423082 Adenosine receptor A2a Homo sapiens 80 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139740&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44379908 104029572 CHEMBL423082 ZINC13589630 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256671 Cc1ccc(O)c(c1)C1=NN(CC1)C(=S)Cc1ccccc1 InChI=1S/C18H18N2OS/c1-13-7-8-17(21)15(11-13)16-9-10-20(19-16)18(22)12-14-5-3-2-4-6-14/h2-8,11,21H,9-10,12H2,1H3 NQFSEEIIJHPDMQ-UHFFFAOYSA-N 50139742 1-[3-(2-Hydroxy-5-methyl-phenyl)-4,5-dihydro-pyrazol-1-yl]-2-phenyl-ethanethione::CHEMBL167157 Adenosine receptor A2a Homo sapiens >5200 ChEMBL 10.1016/j.bmcl.2003.09.095 10.7270/Q25X28CG 14741297 Alanine, A; Anselm, L; Steward, L; Thomi, S; Vifian, W; Groaning, MD F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139742&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44380043 104029574 CHEMBL167157 ZINC27899684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256894 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256895 O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 YQSXASIKWPYYFD-UHFFFAOYSA-N 50330631 3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one::CHEMBL1277116 Adenosine receptor A2a Homo sapiens 805 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50330631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50330631&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 49870825 123109746 CHEMBL1277116 ZINC64436481 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256896 CCc1nc2c(c(nn(Cc3ccccc3)c2=O)C2CCCC2)c2cc(nn12)-c1ccccc1 InChI=1S/C28H27N5O/c1-2-24-29-27-25(23-17-22(30-33(23)24)20-13-7-4-8-14-20)26(21-15-9-10-16-21)31-32(28(27)34)18-19-11-5-3-6-12-19/h3-8,11-14,17,21H,2,9-10,15-16,18H2,1H3 GJLCUFJWXOCCCT-UHFFFAOYSA-N 50038005 CHEMBL3359411 Adenosine receptor A2a Homo sapiens 662 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038005&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118723508 103945454 CHEMBL3359411 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256897 O=c1n(Cc2ccccc2)nc(C2CCCC2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C26H23N5O/c32-26-25-23(22-15-21(28-31(22)17-27-25)19-11-5-2-6-12-19)24(20-13-7-8-14-20)29-30(26)16-18-9-3-1-4-10-18/h1-6,9-12,15,17,20H,7-8,13-14,16H2 ZEWYSXWXUBWGAG-UHFFFAOYSA-N 50038003 CHEMBL3359410 Adenosine receptor A2a Homo sapiens 76 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038003&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118723507 313067188 CHEMBL3359410 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256898 O=c1n(Cc2ccccc2)nc(-c2ccsc2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C25H17N5OS/c31-25-24-22(21-13-20(27-30(21)16-26-24)18-9-5-2-6-10-18)23(19-11-12-32-15-19)28-29(25)14-17-7-3-1-4-8-17/h1-13,15-16H,14H2 OKHOKIJSQZNIGG-UHFFFAOYSA-N 50038022 CHEMBL3359404 Adenosine receptor A2a Homo sapiens 69 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038022&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118723501 313067190 CHEMBL3359404 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256899 Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccs2)c2cc(nn12)-c1ccccc1 InChI=1S/C26H19N5OS/c1-17-27-25-23(21-15-20(28-31(17)21)19-11-6-3-7-12-19)24(22-13-8-14-33-22)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-15H,16H2,1H3 FJWRWPNKRWHEEI-UHFFFAOYSA-N 50038023 CHEMBL3359402 Adenosine receptor A2a Homo sapiens 2595 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038023&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118723499 313067191 CHEMBL3359402 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50256900 O=c1n(Cc2ccccc2)nc(-c2cccs2)c2c3cc(nn3cnc12)-c1ccccc1 InChI=1S/C25H17N5OS/c31-25-24-22(20-14-19(27-30(20)16-26-24)18-10-5-2-6-11-18)23(21-12-7-13-32-21)28-29(25)15-17-8-3-1-4-9-17/h1-14,16H,15H2 ZEGMLGPAPQJPCE-UHFFFAOYSA-N 50038024 CHEMBL3359401 Adenosine receptor A2a Homo sapiens 51 ChEMBL 10.1016/j.ejmech.2014.10.020 10.7270/Q2KP83SC 25462223 Giovannoni, MP; Ciciani, G; Cilibrizzi, A; Crocetti, L; Daniele, S; Di Cesare Mannelli, L; Ghelardini, C; Giacomelli, C; Guerrini, G; Martini, C; Trincavelli, ML; Vergelli, C Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50038024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50038024&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118723498 103945471 CHEMBL3359401 ZINC27309335 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50245492 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(Cl)ccc2[nH]1 InChI=1S/C24H27ClN4O3/c25-17-4-7-20-21(13-17)28-23(27-20)16-3-8-22(26-14-16)29-11-9-19(10-12-29)32-18-5-1-15(2-6-18)24(30)31/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,27,28)(H,30,31)/t15-,18- HRSBAPZLUYCLLN-RZDIXWSQSA-N 50031501 CHEMBL3342773 Adenosine receptor A2a Homo sapiens 3500 ChEMBL 10.1021/ml5003426 10.7270/Q2WQ05CX 25349648 He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031501&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71110270 103940132 CHEMBL3342773 ZINC13741881 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50245493 OC(=O)[C@@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18+ MCFBUIIRFZBRCU-RHNCMZPLSA-N 50031502 CHEMBL3342774 Adenosine receptor A2a Homo sapiens 8000 ChEMBL 10.1021/ml5003426 10.7270/Q2WQ05CX 25349648 He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031502&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71078515 103940133 CHEMBL3342774 ZINC13741882 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50245494 OC(=O)[C@H]1CC[C@@H](CC1)OC1CCN(CC1)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18- MCFBUIIRFZBRCU-RZDIXWSQSA-N 50031503 CHEMBL3342775 Adenosine receptor A2a Homo sapiens 4600 ChEMBL 10.1021/ml5003426 10.7270/Q2WQ05CX 25349648 He, S; Hong, Q; Lai, Z; Yang, DX; Ting, PC; Kuethe, JT; Cernak, TA; Dykstra, KD; Sperbeck, DM; Wu, Z; Yu, Y; Yang, GX; Jian, T; Liu, J; Guiadeen, D; Krikorian, AD; Sonatore, LM; Wiltsie, J; Liu, J; Gorski, JN; Chung, CC; Gibson, JT; Lisnock, J; Xiao, J; Wolff, M; Tong, SX; Madeira, M; Karanam, BV; Shen, DM; Balkovec, JM; Pinto, S; Nargund, RP; DeVita, RJ Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50031503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50031503&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71078515 103940134 CHEMBL3342775 ZINC26401298 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50277755 Cn1nc(c(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)c1Cl)C(F)(F)F InChI=1S/C18H18ClF3N10O/c1-29-13(19)10(12(27-29)18(20,21)22)9-30-4-6-31(7-5-30)16-25-15(23)32-17(26-16)24-14(28-32)11-3-2-8-33-11/h2-3,8H,4-7,9H2,1H3,(H2,23,24,25,26,28) BTPRCXIXYZWERG-UHFFFAOYSA-N 50151188 5-(4-((5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine::5-[4-(5-Chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-ylmethyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL189192 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm0498405 10.7270/Q2805235 15294001 Vu, CB; Peng, B; Kumaravel, G; Smits, G; Jin, X; Phadke, D; Engber, T; Huang, C; Reilly, J; Tam, S; Grant, D; Hetu, G; Chen, L; Zhang, J; Petter, RC Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50151188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50151188&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11386134 104039460 CHEMBL189192 ZINC28458962 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266856 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-13-22-15-12(9-21-24-15)16-23-14(25-26(13)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,24) IOGBBWGNBNVHQJ-UHFFFAOYSA-N 50145228 5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL332577 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145228&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863156 104034069 CHEMBL332577 ZINC27215905 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266853 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19) MQQDQTRQZFWLNZ-UHFFFAOYSA-N 50117223 5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL331111 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117223&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10358755 104010798 CHEMBL331111 ZINC13475526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266860 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18) LTQQXOYFDPLYHI-UHFFFAOYSA-N 50117232 5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122512 Adenosine receptor A2a Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117232&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11779096 104010807 CHEMBL122512 ZINC13475505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266854 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) IOICVMMVGWPRCC-UHFFFAOYSA-N 50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9863684 104010790 CHEMBL123705 ZINC13475521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266855 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,21) GWGQYZRMKQHEFF-UHFFFAOYSA-N 50145227 5-Butyl-2-(4-methoxy-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL126061 Adenosine receptor A2a Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145227&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863139 104034068 CHEMBL126061 ZINC27207769 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266862 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C20H17F3N4/c1-2-3-8-17-24-16-7-5-4-6-15(16)19-25-18(26-27(17)19)13-9-11-14(12-10-13)20(21,22)23/h4-7,9-12H,2-3,8H2,1H3 LMLTXGAUQANHND-UHFFFAOYSA-N 50145229 5-Butyl-2-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL125288 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145229&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863224 104034070 CHEMBL125288 ZINC27209240 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266864 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20) AYOYRISPVKKGIT-UHFFFAOYSA-N 50145230 5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340657 Adenosine receptor A2a Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12128801 104034071 CHEMBL340657 ZINC03945776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266866 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 SDCHIFHLMZWSKY-UHFFFAOYSA-N 50145226 5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340580 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863210 104034067 CHEMBL340580 ZINC27213781 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266867 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C20H20N4O/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3 FJEGWKXECAUOJE-UHFFFAOYSA-N 50145231 5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL341041 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.03.010 10.7270/Q21C1W9W 15109629 Okamura, T; Kurogi, Y; Hashimoto, K; Nishikawa, H; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863152 104034072 CHEMBL341041 ZINC27210197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271491 Cc1ccc2c(N)ccnc2n1 InChI=1S/C9H9N3/c1-6-2-3-7-8(10)4-5-11-9(7)12-6/h2-5H,1H3,(H2,10,11,12) BURICQOPQKPYBQ-UHFFFAOYSA-N 50147860 7-Methyl-[1,8]naphthyridin-4-ylamine::CHEMBL102126 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12455201 104036266 CHEMBL102126 ZINC13579580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271493 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1 InChI=1S/C16H14N2O2/c1-18-15(19)9-8-12-14(20-2)10-13(17-16(12)18)11-6-4-3-5-7-11/h3-10H,1-2H3 ZTDDTJJCIKYWRC-UHFFFAOYSA-N 50090703 5-Methoxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-methoxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL98227 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090703&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10539682 103989164 CHEMBL98227 ZINC13579534 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271495 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1 InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24) ZDODJZMITPPZHF-UHFFFAOYSA-N 50147859 7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL418797 Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147859&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11415926 104036265 CHEMBL418797 ZINC13579549 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271496 COc1cc(nc2n(C)c(=O)ccc12)-c1ccccc1 InChI=1S/C16H14N2O2/c1-18-15(19)9-8-12-14(20-2)10-13(17-16(12)18)11-6-4-3-5-7-11/h3-10H,1-2H3 ZTDDTJJCIKYWRC-UHFFFAOYSA-N 50090703 5-Methoxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-methoxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL98227 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090703 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090703&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10539682 103989164 CHEMBL98227 ZINC13579534 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271500 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3 NGZKBFPWUDPEFK-UHFFFAOYSA-N 50090702 7-Methyl-4-phenoxy-2-phenyl-[1,8]naphthyridine::7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine::CHEMBL96576 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090702&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10828916 103989163 CHEMBL96576 ZINC13579505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271502 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3 NIZRNYKHWFUXOA-UHFFFAOYSA-N 50147863 4,7-Diethoxy-2-phenyl-[1,8]naphthyridine::4,7-diethoxy-2-phenyl-1,8-naphthyridine::CHEMBL102974 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147863&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11415171 104036269 CHEMBL102974 ZINC13579563 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271507 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19) QAVDYADXEMGPAB-UHFFFAOYSA-N 50147864 7-Methyl-2-(3-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL321769 Adenosine receptor A2a Homo sapiens 3400 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147864&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11391873 104036270 CHEMBL321769 ZINC13579572 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271508 Cc1ccc2ccc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2/c1-11-7-8-13-9-10-14(17-15(13)16-11)12-5-3-2-4-6-12/h2-10H,1H3 BGLSJWRWFABGNC-UHFFFAOYSA-N 50090686 2-Methyl-7-phenyl-[1,8]naphthyridine::2-methyl-7-phenyl-1,8-naphthyridine::7-Methyl-2-phenyl-1,8-naphthyridine::CHEMBL97344 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090686&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12431922 103989147 CHEMBL97344 ZINC13579537 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271509 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-] InChI=1S/C15H11N5/c1-10-7-8-12-14(19-20-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 IETPREWZQKFTDO-UHFFFAOYSA-N 50090707 4-Azido-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL328334 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090707&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12063014 103989168 CHEMBL328334 ZINC13579507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271512 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C17H17N3/c1-12-9-10-14-16(20(2)3)11-15(19-17(14)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3 KZPJKIKUNOEASM-UHFFFAOYSA-N 50090693 CHEMBL97665::Dimethyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090693&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10801510 103989154 CHEMBL97665 ZINC13579511 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271514 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18) NDIGDUKGZPJYJH-UHFFFAOYSA-N 50090699 5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-hydroxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL328214 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10824688 103989160 CHEMBL328214 ZINC13579535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271515 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)10-13(18-16(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) OSNOGJBNOXMXBJ-UHFFFAOYSA-N 50147862 2-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::2-benzyl-7-methyl-1,8-naphthyridin-4-ol::CHEMBL103796 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147862&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333187 104036268 CHEMBL103796 ZINC13579576 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271517 Oc1cc(nc2nc(F)ccc12)-c1ccccc1 InChI=1S/C14H9FN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JYUCERXIHOMWBK-UHFFFAOYSA-N 50090709 7-Fluoro-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL97757 Adenosine receptor A2a Homo sapiens 2700 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090709&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10728732 103989170 CHEMBL97757 ZINC13579523 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271519 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-2-7-12-14(19)8-13(17-15(12)16-9)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19) MGONMXNIZCTIPU-UHFFFAOYSA-N 50090688 7-Methyl-2-(4-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL316630 Adenosine receptor A2a Homo sapiens 460 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090688&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13155597 103989149 CHEMBL316630 ZINC13579539 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271520 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) USYVLFNTOOQIMZ-UHFFFAOYSA-N 50090705 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ol::7-methyl-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97549 Adenosine receptor A2a Homo sapiens 460 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090705&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5467768 103989166 CHEMBL97549 ZINC06488320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271521 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1 InChI=1S/C19H20N4/c1-14-7-8-16-18(23-11-9-20-10-12-23)13-17(22-19(16)21-14)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3 ZVMUIZUYPSGHHR-UHFFFAOYSA-N 50090696 7-Methyl-2-phenyl-4-piperazin-1-yl-[1,8]naphthyridine::CHEMBL96617 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10494738 103989157 CHEMBL96617 ZINC13579517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271526 Cc1cc(O)c2ccc(N)nc2n1 InChI=1S/C9H9N3O/c1-5-4-7(13)6-2-3-8(10)12-9(6)11-5/h2-4H,1H3,(H3,10,11,12,13) FPRARRWNHBXCFA-UHFFFAOYSA-N 50147866 7-Amino-2-methyl-[1,8]naphthyridin-4-ol::7-amino-2-methyl-1,8-naphthyridin-4-ol::CHEMBL321330 Adenosine receptor A2a Homo sapiens 7500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147866&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15588319 104036272 CHEMBL321330 ZINC13579584 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271533 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-15(13-8-6-5-7-9-13)12-16(21)14-10-11-17(22-4-2)19-18(14)20/h5-12H,3-4H2,1-2H3 JKRWRMYTHHNAOF-UHFFFAOYSA-N 50147865 7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one::CHEMBL102753 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147865&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11266371 104036271 CHEMBL102753 ZINC13579561 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271534 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1 InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22) JYIITCYTXQXDCX-UHFFFAOYSA-N 50147869 CHEMBL104998::N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147869&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10085767 104036275 CHEMBL104998 ZINC13579570 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271535 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1 InChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19) CWTSAOIACWWXPW-UHFFFAOYSA-N 50090698 (7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine::1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine::CHEMBL94538 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090698&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44327984 103989159 CHEMBL94538 ZINC13579541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271536 Cc1ccc2c(O)cc(nc2n1)-c1cccc(c1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-5-6-12-14(19)8-13(17-15(12)16-9)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H,16,17,19) QAVDYADXEMGPAB-UHFFFAOYSA-N 50147864 7-Methyl-2-(3-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL321769 Adenosine receptor A2a Homo sapiens 580 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147864&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11391873 104036270 CHEMBL321769 ZINC13579572 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271539 CCOc1ccc2c(n1)n(CC)c(cc2=O)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-15(13-8-6-5-7-9-13)12-16(21)14-10-11-17(22-4-2)19-18(14)20/h5-12H,3-4H2,1-2H3 JKRWRMYTHHNAOF-UHFFFAOYSA-N 50147865 7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one::CHEMBL102753 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147865&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11266371 104036271 CHEMBL102753 ZINC13579561 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271541 COc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18) WWOBOTABDQDBGO-UHFFFAOYSA-N 50090684 7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-methoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL329294 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090684&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10264202 103989145 CHEMBL329294 ZINC13579530 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271542 CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1 InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22) JYIITCYTXQXDCX-UHFFFAOYSA-N 50147869 CHEMBL104998::N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147869&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10085767 104036275 CHEMBL104998 ZINC13579570 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271543 Cc1ccc2c(O)ccnc2n1 InChI=1S/C9H8N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-5H,1H3,(H,10,11,12) JVJJTRYGAHJGAZ-UHFFFAOYSA-N 50147870 7-Methyl-[1,8]naphthyridin-4-ol::7-methyl-1,8-naphthyridin-4-ol::CHEMBL103553 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147870&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5373676 104036276 CHEMBL103553 ZINC13579578 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271544 Cc1ccc2c(O)cc(Cc3ccccc3)nc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)10-13(18-16(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) OSNOGJBNOXMXBJ-UHFFFAOYSA-N 50147862 2-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::2-benzyl-7-methyl-1,8-naphthyridin-4-ol::CHEMBL103796 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147862&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333187 104036268 CHEMBL103796 ZINC13579576 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271545 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1 InChI=1S/C17H16N2O/c1-3-19-15(13-7-5-4-6-8-13)11-16(20)14-10-9-12(2)18-17(14)19/h4-11H,3H2,1-2H3 FWHOTNQFRIOUCV-UHFFFAOYSA-N 50090692 1-Ethyl-7-methyl-2-phenyl-1H-[1,8]naphthyridin-4-one::1-ethyl-7-methyl-2-phenyl-1,8-naphthyridin-4(1H)-one::CHEMBL415697 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090692&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10778032 103989153 CHEMBL415697 ZINC13579498 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271546 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) USYVLFNTOOQIMZ-UHFFFAOYSA-N 50090705 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ol::7-methyl-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97549 Adenosine receptor A2a Homo sapiens 550 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090705&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5467768 103989166 CHEMBL97549 ZINC06488320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271547 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1 InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 CMSOCFLZPHQUAD-UHFFFAOYSA-N 50090689 4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine::4-chloro-7-methyl-2-phenyl-1,8-naphthyridine::CHEMBL97778 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090689&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12431921 103989150 CHEMBL97778 ZINC13579501 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271549 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1 InChI=1S/C20H14N2O2/c23-18-13-17(14-7-3-1-4-8-14)21-20-16(18)11-12-19(22-20)24-15-9-5-2-6-10-15/h1-13H,(H,21,22,23) SLZVBIPBLILWAS-UHFFFAOYSA-N 50090701 7-Phenoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-phenoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97896 Adenosine receptor A2a Homo sapiens 1900 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090701&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10663067 103989162 CHEMBL97896 ZINC13579526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271551 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) VXQCNUDURSVDNV-UHFFFAOYSA-N 50090685 7-Methyl-2-phenyl-[1,8]naphthyridine-4-thiol::CHEMBL329293 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090685&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10562783 103989146 CHEMBL329293 ZINC13579500 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271552 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C14H11N3O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17,18) JFABDXYOYFAMJL-UHFFFAOYSA-N 50090683 7-Amino-2-phenyl-1H-[1,8]naphthyridin-4-one::7-Amino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102430 Adenosine receptor A2a Homo sapiens 9000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14686958 103989144 CHEMBL102430 ZINC13809324 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271554 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1 InChI=1S/C15H13N3O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,16H2,1H3,(H,17,18,19) OKVZOLUFTRHZBG-UHFFFAOYSA-N 50147871 2-(3-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(3-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL323303 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147871&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11368737 104036277 CHEMBL323303 ZINC13579574 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271556 Cc1cc(O)c2ccc(=O)[nH]c2n1 InChI=1S/C9H8N2O2/c1-5-4-7(12)6-2-3-8(13)11-9(6)10-5/h2-4H,1H3,(H2,10,11,12,13) ZNEXOVYMUWFZKD-UHFFFAOYSA-N 50147872 7-Methyl-[1,8]naphthyridine-2,5-diol::7-methyl-1,8-naphthyridine-2,5-diol::CHEMBL441815 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147872&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333135 104036278 CHEMBL441815 ZINC13579582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271557 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20) BEMRWFAUJDRLIY-UHFFFAOYSA-N 50147858 7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102429 Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147858&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10378184 104036264 CHEMBL102429 ZINC13579545 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271564 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H23N3/c1-15-12-13-18-20(23-17-10-6-3-7-11-17)14-19(24-21(18)22-15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23,24) NCXRGWNKMATFFY-UHFFFAOYSA-N 50090704 CHEMBL97624::Cyclohexyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine::N-cyclohexyl-7-methyl-2-phenyl-1,8-naphthyridin-4-amine Adenosine receptor A2a Homo sapiens 830 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090704&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10757861 103989165 CHEMBL97624 ZINC13579513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271568 Cc1ccc2c(Oc3ccccc3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3 NGZKBFPWUDPEFK-UHFFFAOYSA-N 50090702 7-Methyl-4-phenoxy-2-phenyl-[1,8]naphthyridine::7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine::CHEMBL96576 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090702&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10828916 103989163 CHEMBL96576 ZINC13579505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271569 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1 InChI=1S/C15H13N3/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18) ZUQJILBTGSLROV-UHFFFAOYSA-N 50090708 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ylamine::7-methyl-2-phenyl-1,8-naphthyridin-4-amine::CHEMBL97337 Adenosine receptor A2a Homo sapiens 420 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090708&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10847356 103989169 CHEMBL97337 ZINC13579509 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271574 CSc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2S/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 LCHWKAQCEAVIRN-UHFFFAOYSA-N 50147878 7-Methyl-4-methylsulfanyl-2-phenyl-[1,8]naphthyridine::CHEMBL105000 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147878&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11437060 104036284 CHEMBL105000 ZINC13579567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271575 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-17(21)11-10-14-16(22-4-2)12-15(19-18(14)20)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3 RCDDAILWTKWNPX-UHFFFAOYSA-N 50147876 5-Ethoxy-1-ethyl-7-phenyl-1H-[1,8]naphthyridin-2-one::CHEMBL323288 Adenosine receptor A2a Homo sapiens 3800 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147876&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11277831 104036282 CHEMBL323288 ZINC13579559 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50260698 Cc1ccc2ncc3nc(nn3c2c1)-c1ccccc1 InChI=1S/C16H12N4/c1-11-7-8-13-14(9-11)20-15(10-17-13)18-16(19-20)12-5-3-2-4-6-12/h2-10H,1H3 ZUFVVAQGLGKWBN-UHFFFAOYSA-N 50041213 CHEMBL3356373 Adenosine receptor A2a Homo sapiens 2401 ChEMBL 10.1016/j.bmc.2014.11.033 10.7270/Q24B32XC 25497490 Catarzi, D; Varano, F; Poli, D; Squarcialupi, L; Betti, M; Trincavelli, L; Martini, C; Dal Ben, D; Thomas, A; Volpini, R; Colotta, V Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041213&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118721485 313067663 CHEMBL3356373 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271576 Cc1ccc2c(NN)cc(nc2n1)-c1ccccc1 InChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19) CWTSAOIACWWXPW-UHFFFAOYSA-N 50090698 (7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine::1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine::CHEMBL94538 Adenosine receptor A2a Homo sapiens 4100 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090698&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44327984 103989159 CHEMBL94538 ZINC13579541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271578 Oc1cc(nc2nc(Oc3ccccc3)ccc12)-c1ccccc1 InChI=1S/C20H14N2O2/c23-18-13-17(14-7-3-1-4-8-14)21-20-16(18)11-12-19(22-20)24-15-9-5-2-6-10-15/h1-13H,(H,21,22,23) SLZVBIPBLILWAS-UHFFFAOYSA-N 50090701 7-Phenoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-phenoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97896 Adenosine receptor A2a Homo sapiens 4800 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090701&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10663067 103989162 CHEMBL97896 ZINC13579526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271579 CCCc1cc(O)c2ccc(C)nc2n1 InChI=1S/C12H14N2O/c1-3-4-9-7-11(15)10-6-5-8(2)13-12(10)14-9/h5-7H,3-4H2,1-2H3,(H,13,14,15) JAFFZYFREVCDTP-UHFFFAOYSA-N 50147877 7-Methyl-2-propyl-[1,8]naphthyridin-4-ol::7-methyl-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103150 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147877&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13155595 104036283 CHEMBL103150 ZINC13579586 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271580 Cc1ccc2c(S)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18) VXQCNUDURSVDNV-UHFFFAOYSA-N 50090685 7-Methyl-2-phenyl-[1,8]naphthyridine-4-thiol::CHEMBL329293 Adenosine receptor A2a Homo sapiens 1250 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090685&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10562783 103989146 CHEMBL329293 ZINC13579500 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271583 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C24H28N4O2/c1-3-30-23(29)11-12-27-13-15-28(16-14-27)22-17-21(19-7-5-4-6-8-19)26-24-20(22)10-9-18(2)25-24/h4-10,17H,3,11-16H2,1-2H3 IWDYDSAEPJGCCN-UHFFFAOYSA-N 50147861 3-[4-(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL100121 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147861&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333267 104036267 CHEMBL100121 ZINC26749867 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271584 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1 InChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19) CZXAHGMAYCNGTM-UHFFFAOYSA-N 50147875 2-(4-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL104999 Adenosine receptor A2a Homo sapiens 500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147875&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11311283 104036281 CHEMBL104999 ZINC13579568 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271585 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1 InChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23) LFNPFSAOGFSWNR-UHFFFAOYSA-N 50147874 2-Phenyl-7-piperazin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102017 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147874&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11255221 104036280 CHEMBL102017 ZINC13579555 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271586 Oc1cc(nc2ncccc12)-c1ccccc1 InChI=1S/C14H10N2O/c17-13-9-12(10-5-2-1-3-6-10)16-14-11(13)7-4-8-15-14/h1-9H,(H,15,16,17) IPVMHKHKTQYJIL-UHFFFAOYSA-N 50090711 2-Phenyl-[1,8]naphthyridin-4-ol::2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97037 Adenosine receptor A2a Homo sapiens 2000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090711&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 377427 103989172 CHEMBL97037 ZINC05647151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271587 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1 InChI=1S/C19H19N3O/c23-17-13-16(14-7-3-1-4-8-14)20-19-15(17)9-10-18(21-19)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,21,23) OEGQXIGPVPYBKC-UHFFFAOYSA-N 50147873 2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102178 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11289724 104036279 CHEMBL102178 ZINC13579547 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271591 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) ZVIMMGQTBAKKGA-UHFFFAOYSA-N 50090700 7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol::7-bromo-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97687 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090700&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10402581 103989161 CHEMBL97687 ZINC13579521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271593 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H14N2O2/c1-2-20-15-9-8-12-14(19)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19) XFBOFPZZZNBLGG-UHFFFAOYSA-N 50090691 7-Ethoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-ethoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97895 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10706862 103989152 CHEMBL97895 ZINC13579528 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271596 CCn1c(cc(=O)c2ccc(C)nc12)-c1ccccc1 InChI=1S/C17H16N2O/c1-3-19-15(13-7-5-4-6-8-13)11-16(20)14-10-9-12(2)18-17(14)19/h4-11H,3H2,1-2H3 FWHOTNQFRIOUCV-UHFFFAOYSA-N 50090692 1-Ethyl-7-methyl-2-phenyl-1H-[1,8]naphthyridin-4-one::1-ethyl-7-methyl-2-phenyl-1,8-naphthyridin-4(1H)-one::CHEMBL415697 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090692&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10778032 103989153 CHEMBL415697 ZINC13579498 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271599 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3 KLQJOMKIBCTFIK-UHFFFAOYSA-N 50147868 7-Bromo-4-ethoxy-2-phenyl-[1,8]naphthyridine::7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine::CHEMBL103559 Adenosine receptor A2a Homo sapiens 2900 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147868&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11771825 104036274 CHEMBL103559 ZINC13579557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271602 Cc1ccc2c(O)cc(nc2n1)-c1ccc(N)cc1 InChI=1S/C15H13N3O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3,(H,17,18,19) CZXAHGMAYCNGTM-UHFFFAOYSA-N 50147875 2-(4-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL104999 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147875&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11311283 104036281 CHEMBL104999 ZINC13579568 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271603 Cc1ccc2c(N)cc(nc2n1)-c1ccccc1 InChI=1S/C15H13N3/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18) ZUQJILBTGSLROV-UHFFFAOYSA-N 50090708 7-Methyl-2-phenyl-[1,8]naphthyridin-4-ylamine::7-methyl-2-phenyl-1,8-naphthyridin-4-amine::CHEMBL97337 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090708&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10847356 103989169 CHEMBL97337 ZINC13579509 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271605 CN(C)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20) BEMRWFAUJDRLIY-UHFFFAOYSA-N 50147858 7-(dimethylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102429 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147858&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10378184 104036264 CHEMBL102429 ZINC13579545 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271606 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1 InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JSCUNIPKMPNPFX-UHFFFAOYSA-N 50090697 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol::7-chloro-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97760 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6105572 103989158 CHEMBL97760 ZINC08582290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271608 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 3.25 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271609 Cc1ccc2c(O)cc(nc2n1)-c1cccc(N)c1 InChI=1S/C15H13N3O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,16H2,1H3,(H,17,18,19) OKVZOLUFTRHZBG-UHFFFAOYSA-N 50147871 2-(3-Amino-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(3-aminophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL323303 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147871&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11368737 104036277 CHEMBL323303 ZINC13579574 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271615 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H13N3O2/c17-15(21)8-11-6-7-12-14(20)9-13(19-16(12)18-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,21)(H,18,19,20) HZWWUKPTGCWOGE-UHFFFAOYSA-N 50147879 2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide::CHEMBL317411 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147879&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333467 104036285 CHEMBL317411 ZINC26823001 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271616 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 144 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271619 CCOC(=O)CCN1CCN(CC1)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C24H28N4O2/c1-3-30-23(29)11-12-27-13-15-28(16-14-27)22-17-21(19-7-5-4-6-8-19)26-24-20(22)10-9-18(2)25-24/h4-10,17H,3,11-16H2,1-2H3 IWDYDSAEPJGCCN-UHFFFAOYSA-N 50147861 3-[4-(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL100121 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147861&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333267 104036267 CHEMBL100121 ZINC26749867 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271621 CSc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2S/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 LCHWKAQCEAVIRN-UHFFFAOYSA-N 50147878 7-Methyl-4-methylsulfanyl-2-phenyl-[1,8]naphthyridine::CHEMBL105000 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147878&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11437060 104036284 CHEMBL105000 ZINC13579567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271625 CCOc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H14N2O2/c1-2-20-15-9-8-12-14(19)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18,19) XFBOFPZZZNBLGG-UHFFFAOYSA-N 50090691 7-Ethoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-ethoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97895 Adenosine receptor A2a Homo sapiens 1500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10706862 103989152 CHEMBL97895 ZINC13579528 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271626 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1 InChI=1S/C15H11FN2O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19) SNGDBODRLXYCRJ-UHFFFAOYSA-N 50059101 2-(4-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one::2-(4-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL313864 Adenosine receptor A2a Homo sapiens 630 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5468910 103955003 CHEMBL313864 ZINC06488309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271627 COc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2O2/c1-19-14-8-7-11-13(18)9-12(16-15(11)17-14)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18) WWOBOTABDQDBGO-UHFFFAOYSA-N 50090684 7-Methoxy-2-phenyl-[1,8]naphthyridin-4-ol::7-methoxy-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL329294 Adenosine receptor A2a Homo sapiens 490 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090684&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10264202 103989145 CHEMBL329294 ZINC13579530 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271628 COc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2O/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 YCKHYNHAPZIJKJ-UHFFFAOYSA-N 50090706 4-Methoxy-7-methyl-2-phenyl-1,8-naphthyridine::4-Methoxy-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL319580 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090706&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10729354 103989167 CHEMBL319580 ZINC13579503 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271629 Oc1cc(nc2nc(ccc12)N1CCCCC1)-c1ccccc1 InChI=1S/C19H19N3O/c23-17-13-16(14-7-3-1-4-8-14)20-19-15(17)9-10-18(21-19)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,20,21,23) OEGQXIGPVPYBKC-UHFFFAOYSA-N 50147873 2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102178 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11289724 104036279 CHEMBL102178 ZINC13579547 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271631 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C23H26N4O3/c1-2-30-22(29)10-11-26-12-14-27(15-13-26)21-9-8-18-20(28)16-19(24-23(18)25-21)17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,24,25,28) MZNYHTOYWYLUGI-UHFFFAOYSA-N 50147880 3-[4-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL103278 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147880&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333456 104036286 CHEMBL103278 ZINC26819470 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271638 COc1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C16H14N2O/c1-11-8-9-13-15(19-2)10-14(18-16(13)17-11)12-6-4-3-5-7-12/h3-10H,1-2H3 YCKHYNHAPZIJKJ-UHFFFAOYSA-N 50090706 4-Methoxy-7-methyl-2-phenyl-1,8-naphthyridine::4-Methoxy-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL319580 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090706&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10729354 103989167 CHEMBL319580 ZINC13579503 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271640 Cn1c2nc(cc(O)c2ccc1=O)-c1ccccc1 InChI=1S/C15H12N2O2/c1-17-14(19)8-7-11-13(18)9-12(16-15(11)17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18) NDIGDUKGZPJYJH-UHFFFAOYSA-N 50090699 5-Hydroxy-1-methyl-7-phenyl-1H-[1,8]naphthyridin-2-one::5-hydroxy-1-methyl-7-phenyl-1,8-naphthyridin-2(1H)-one::CHEMBL328214 Adenosine receptor A2a Homo sapiens 6500 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10824688 103989160 CHEMBL328214 ZINC13579535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271642 Cc1ccc2c(N)ccnc2n1 InChI=1S/C9H9N3/c1-6-2-3-7-8(10)4-5-11-9(7)12-6/h2-5H,1H3,(H2,10,11,12) BURICQOPQKPYBQ-UHFFFAOYSA-N 50147860 7-Methyl-[1,8]naphthyridin-4-ylamine::CHEMBL102126 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147860&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12455201 104036266 CHEMBL102126 ZINC13579580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271643 NC(=O)Cc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C16H13N3O2/c17-15(21)8-11-6-7-12-14(20)9-13(19-16(12)18-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,21)(H,18,19,20) HZWWUKPTGCWOGE-UHFFFAOYSA-N 50147879 2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide::CHEMBL317411 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147879&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333467 104036285 CHEMBL317411 ZINC26823001 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271645 Cc1ccc2c(O)ccnc2n1 InChI=1S/C9H8N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-5H,1H3,(H,10,11,12) JVJJTRYGAHJGAZ-UHFFFAOYSA-N 50147870 7-Methyl-[1,8]naphthyridin-4-ol::7-methyl-1,8-naphthyridin-4-ol::CHEMBL103553 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147870&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5373676 104036276 CHEMBL103553 ZINC13579578 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272710 COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) AEULVFLPCJOBCE-UHFFFAOYSA-N 50094037 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL136689::SCH-442416 Adenosine receptor A2a Homo sapiens 0.048000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094037&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10668061 103991936 CHEMBL136689 3283 ZINC00602847 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272711 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272712 CCOC(=O)c1cnc(SC)n2nc(nc12)-c1ccco1 InChI=1S/C13H12N4O3S/c1-3-19-12(18)8-7-14-13(21-2)17-11(8)15-10(16-17)9-5-4-6-20-9/h4-7H,3H2,1-2H3 FYVFQKPIXSURSP-UHFFFAOYSA-N 50048057 CHEMBL3314870 Adenosine receptor A2a Homo sapiens 9500 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048057&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 69846756 103978590 CHEMBL3314870 ZINC13831897 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272713 CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 InChI=1S/C21H21N5O5/c1-4-30-20(27)14-12-23-21(22-11-13-7-8-15(28-2)17(10-13)29-3)26-19(14)24-18(25-26)16-6-5-9-31-16/h5-10,12H,4,11H2,1-3H3,(H,22,23) VZKOSFXYYAOWFE-UHFFFAOYSA-N 50048058 CHEMBL3314871 Adenosine receptor A2a Homo sapiens 116 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048058&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22002364 103978591 CHEMBL3314871 ZINC01552599 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272714 COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1OC InChI=1S/C19H17N5O5/c1-27-13-6-5-11(8-15(13)28-2)9-20-19-21-10-12(18(25)26)17-22-16(23-24(17)19)14-4-3-7-29-14/h3-8,10H,9H2,1-2H3,(H,20,21)(H,25,26) DNLBKTPXMZBOFK-UHFFFAOYSA-N 50048059 CHEMBL3314872 Adenosine receptor A2a Homo sapiens 5320 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048059&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22002352 103978592 CHEMBL3314872 ZINC03792241 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272715 CNC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)n2nc(nc12)-c1ccco1 InChI=1S/C20H20N6O4/c1-21-19(27)13-11-23-20(22-10-12-6-7-14(28-2)16(9-12)29-3)26-18(13)24-17(25-26)15-5-4-8-30-15/h4-9,11H,10H2,1-3H3,(H,21,27)(H,22,23) MZKHULNXFMYXHQ-UHFFFAOYSA-N 50048060 CHEMBL3314873 Adenosine receptor A2a Homo sapiens 26 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048060&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22002319 103978593 CHEMBL3314873 ZINC13831901 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272716 COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30) AISRPRRMNYPGJX-UHFFFAOYSA-N 50048061 CHEMBL3314874 Adenosine receptor A2a Homo sapiens 65 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048061&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707843 103978594 CHEMBL3314874 ZINC13831912 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272717 CNC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 InChI=1S/C11H10N6O2/c1-13-10(18)6-5-14-11(12)17-9(6)15-8(16-17)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14)(H,13,18) XXBJWZWBDPCJLY-UHFFFAOYSA-N 50047977 CHEMBL3314875 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047977&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22002375 103978541 CHEMBL3314875 ZINC13828069 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272718 Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C18H16N6O2/c19-18-21-11-13(17(25)20-9-8-12-5-2-1-3-6-12)16-22-15(23-24(16)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21)(H,20,25) QSEZHCRHSSPFSF-UHFFFAOYSA-N 50047978 CHEMBL3313941 Adenosine receptor A2a Homo sapiens 11 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047978&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707844 103978542 CHEMBL3313941 ZINC13828063 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272719 CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccco1 InChI=1S/C12H11N5O3/c1-2-19-11(18)7-6-14-12(13)17-10(7)15-9(16-17)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,14) PUVYFFNVIIAMAD-UHFFFAOYSA-N 50047979 CHEMBL3314876 Adenosine receptor A2a Homo sapiens 3.3 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047979&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22002449 103978543 CHEMBL3314876 ZINC13828047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272720 CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C18H15N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h2-10H,1H3,(H,19,26)(H2,20,21,23,27) WAQPAPWWCAZZPX-UHFFFAOYSA-N 50047980 CHEMBL3314877 Adenosine receptor A2a Homo sapiens 5.8 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047980&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707845 103978544 CHEMBL3314877 ZINC13828029 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272721 CNC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C18H21N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h5,8-11H,2-4,6-7H2,1H3,(H,19,26)(H2,20,21,23,27) GXEZYCDFZVJREN-UHFFFAOYSA-N 50047981 CHEMBL3314878 Adenosine receptor A2a Homo sapiens 1520 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047981&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707846 103978545 CHEMBL3314878 ZINC13828084 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272722 CNC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16N6O3/c1-20-18(27)13-11-21-19(22-15(26)10-12-6-3-2-4-7-12)25-17(13)23-16(24-25)14-8-5-9-28-14/h2-9,11H,10H2,1H3,(H,20,27)(H,21,22,26) KREPMYGREGKWTJ-UHFFFAOYSA-N 50047982 CHEMBL3314879 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047982&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707847 103978546 CHEMBL3314879 ZINC13828058 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272727 O=C(Nc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C25H21N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1-12,15-16H,13-14H2,(H,26,33)(H2,27,28,30,34) NWQNJVWWWACIPI-UHFFFAOYSA-N 50047983 CHEMBL3314880 Adenosine receptor A2a Homo sapiens 51 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047983&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707848 103978547 CHEMBL3314880 ZINC13828075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271646 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F InChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19) AXHXSGOIYWBQTM-UHFFFAOYSA-N 50090690 2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL95384 Adenosine receptor A2a Homo sapiens 470 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090690&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10538858 103989151 CHEMBL95384 ZINC13579519 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271647 Oc1cc(nc2nc(Cl)ccc12)-c1ccccc1 InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JSCUNIPKMPNPFX-UHFFFAOYSA-N 50090697 7-Chloro-2-phenyl-[1,8]naphthyridin-4-ol::7-chloro-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97760 Adenosine receptor A2a Homo sapiens 450 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6105572 103989158 CHEMBL97760 ZINC08582290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271648 CCOc1ccc2c(OCC)cc(nc2n1)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-21-16-12-15(13-8-6-5-7-9-13)19-18-14(16)10-11-17(20-18)22-4-2/h5-12H,3-4H2,1-2H3 NIZRNYKHWFUXOA-UHFFFAOYSA-N 50147863 4,7-Diethoxy-2-phenyl-[1,8]naphthyridine::4,7-diethoxy-2-phenyl-1,8-naphthyridine::CHEMBL102974 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147863&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11415171 104036269 CHEMBL102974 ZINC13579563 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271650 Oc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C14H9BrN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) ZVIMMGQTBAKKGA-UHFFFAOYSA-N 50090700 7-Bromo-2-phenyl-[1,8]naphthyridin-4-ol::7-bromo-2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97687 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090700 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090700&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10402581 103989161 CHEMBL97687 ZINC13579521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271651 CCCc1cc(O)c2ccc(C)nc2n1 InChI=1S/C12H14N2O/c1-3-4-9-7-11(15)10-6-5-8(2)13-12(10)14-9/h5-7H,3-4H2,1-2H3,(H,13,14,15) JAFFZYFREVCDTP-UHFFFAOYSA-N 50147877 7-Methyl-2-propyl-[1,8]naphthyridin-4-ol::7-methyl-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103150 Adenosine receptor A2a Homo sapiens 900 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147877&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13155595 104036283 CHEMBL103150 ZINC13579586 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271653 Oc1cc(nc2nc(ccc12)N1CCNCC1)-c1ccccc1 InChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23) LFNPFSAOGFSWNR-UHFFFAOYSA-N 50147874 2-Phenyl-7-piperazin-1-yl-[1,8]naphthyridin-4-ol::CHEMBL102017 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147874&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11255221 104036280 CHEMBL102017 ZINC13579555 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271654 Cc1ccc2c(O)cc(nc2n1)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C15H11N3O3/c1-9-2-7-12-14(19)8-13(17-15(12)16-9)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19) MGONMXNIZCTIPU-UHFFFAOYSA-N 50090688 7-Methyl-2-(4-nitro-phenyl)-[1,8]naphthyridin-4-ol::CHEMBL316630 Adenosine receptor A2a Homo sapiens 640 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090688&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13155597 103989149 CHEMBL316630 ZINC13579539 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271661 Cc1ccc2c(Cl)cc(nc2n1)-c1ccccc1 InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 CMSOCFLZPHQUAD-UHFFFAOYSA-N 50090689 4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine::4-chloro-7-methyl-2-phenyl-1,8-naphthyridine::CHEMBL97778 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090689 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090689&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12431921 103989150 CHEMBL97778 ZINC13579501 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271662 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N=[N+]=[N-] InChI=1S/C15H11N5/c1-10-7-8-12-14(19-20-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3 IETPREWZQKFTDO-UHFFFAOYSA-N 50090707 4-Azido-7-methyl-2-phenyl-[1,8]naphthyridine::CHEMBL328334 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090707&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12063014 103989168 CHEMBL328334 ZINC13579507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271663 Oc1cc(nc2nc(F)ccc12)-c1ccccc1 InChI=1S/C14H9FN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18) JYUCERXIHOMWBK-UHFFFAOYSA-N 50090709 7-Fluoro-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL97757 Adenosine receptor A2a Homo sapiens 170 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090709&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10728732 103989170 CHEMBL97757 ZINC13579523 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271664 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1 InChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22) IYMKLWDSUIVPMJ-UHFFFAOYSA-N 50147881 7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102491 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147881&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11312833 104036287 CHEMBL102491 ZINC13579551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271669 CCOC(=O)CCN1CCN(CC1)c1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C23H26N4O3/c1-2-30-22(29)10-11-26-12-14-27(15-13-26)21-9-8-18-20(28)16-19(24-23(18)25-21)17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,24,25,28) MZNYHTOYWYLUGI-UHFFFAOYSA-N 50147880 3-[4-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-piperazin-1-yl]-propionic acid ethyl ester::CHEMBL103278 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147880&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333456 104036286 CHEMBL103278 ZINC26819470 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271672 Cc1ccc2c(cc(nc2n1)-c1ccccc1)N1CCNCC1 InChI=1S/C19H20N4/c1-14-7-8-16-18(23-11-9-20-10-12-23)13-17(22-19(16)21-14)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3 ZVMUIZUYPSGHHR-UHFFFAOYSA-N 50090696 7-Methyl-2-phenyl-4-piperazin-1-yl-[1,8]naphthyridine::CHEMBL96617 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10494738 103989157 CHEMBL96617 ZINC13579517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271673 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271676 CCOc1cc(nc2nc(Br)ccc12)-c1ccccc1 InChI=1S/C16H13BrN2O/c1-2-20-14-10-13(11-6-4-3-5-7-11)18-16-12(14)8-9-15(17)19-16/h3-10H,2H2,1H3 KLQJOMKIBCTFIK-UHFFFAOYSA-N 50147868 7-Bromo-4-ethoxy-2-phenyl-[1,8]naphthyridine::7-bromo-4-ethoxy-2-phenyl-1,8-naphthyridine::CHEMBL103559 Adenosine receptor A2a Homo sapiens 970 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147868&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11771825 104036274 CHEMBL103559 ZINC13579557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271679 Cc1ccc2c(O)cc(nc2n1)-c1ccccc1F InChI=1S/C15H11FN2O/c1-9-6-7-11-14(19)8-13(18-15(11)17-9)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,17,18,19) AXHXSGOIYWBQTM-UHFFFAOYSA-N 50090690 2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL95384 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090690 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090690&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10538858 103989151 CHEMBL95384 ZINC13579519 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271682 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1 InChI=1S/C14H10N2O2/c17-12-8-11(9-4-2-1-3-5-9)15-14-10(12)6-7-13(18)16-14/h1-8H,(H2,15,16,17,18) UYSLLPSTKAYJAM-UHFFFAOYSA-N 50090695 7-Phenyl-[1,8]naphthyridine-2,5-diol::CHEMBL97904 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10537885 103989156 CHEMBL97904 ZINC13579532 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271685 Oc1cc(nc2nc(ccc12)N1CCOCC1)-c1ccccc1 InChI=1S/C18H17N3O2/c22-16-12-15(13-4-2-1-3-5-13)19-18-14(16)6-7-17(20-18)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,19,20,22) IYMKLWDSUIVPMJ-UHFFFAOYSA-N 50147881 7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102491 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147881&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11312833 104036287 CHEMBL102491 ZINC13579551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271687 Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1 InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24) ZDODJZMITPPZHF-UHFFFAOYSA-N 50147859 7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL418797 Adenosine receptor A2a Homo sapiens 1700 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147859&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11415926 104036265 CHEMBL418797 ZINC13579549 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271693 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271694 Cc1ccc2c(NC3CCCCC3)cc(nc2n1)-c1ccccc1 InChI=1S/C21H23N3/c1-15-12-13-18-20(23-17-10-6-3-7-11-17)14-19(24-21(18)22-15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,22,23,24) NCXRGWNKMATFFY-UHFFFAOYSA-N 50090704 CHEMBL97624::Cyclohexyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine::N-cyclohexyl-7-methyl-2-phenyl-1,8-naphthyridin-4-amine Adenosine receptor A2a Homo sapiens 490 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090704 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090704&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10757861 103989165 CHEMBL97624 ZINC13579513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271695 Oc1cc(nc2ncccc12)-c1ccccc1 InChI=1S/C14H10N2O/c17-13-9-12(10-5-2-1-3-6-10)16-14-11(13)7-4-8-15-14/h1-9H,(H,15,16,17) IPVMHKHKTQYJIL-UHFFFAOYSA-N 50090711 2-Phenyl-[1,8]naphthyridin-4-ol::2-phenyl-1,8-naphthyridin-4-ol::CHEMBL97037 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090711&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 377427 103989172 CHEMBL97037 ZINC05647151 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271698 Nc1ccc2c(O)cc(nc2n1)-c1ccccc1 InChI=1S/C14H11N3O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17,18) JFABDXYOYFAMJL-UHFFFAOYSA-N 50090683 7-Amino-2-phenyl-1H-[1,8]naphthyridin-4-one::7-Amino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL102430 Adenosine receptor A2a Homo sapiens 5900 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14686958 103989144 CHEMBL102430 ZINC13809324 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271699 CCOc1cc(nc2n(CC)c(=O)ccc12)-c1ccccc1 InChI=1S/C18H18N2O2/c1-3-20-17(21)11-10-14-16(22-4-2)12-15(19-18(14)20)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3 RCDDAILWTKWNPX-UHFFFAOYSA-N 50147876 5-Ethoxy-1-ethyl-7-phenyl-1H-[1,8]naphthyridin-2-one::CHEMBL323288 Adenosine receptor A2a Homo sapiens 7200 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147876&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11277831 104036282 CHEMBL323288 ZINC13579559 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271703 CN(C)c1cc(nc2nc(C)ccc12)-c1ccccc1 InChI=1S/C17H17N3/c1-12-9-10-14-16(20(2)3)11-15(19-17(14)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3 KZPJKIKUNOEASM-UHFFFAOYSA-N 50090693 CHEMBL97665::Dimethyl-(7-methyl-2-phenyl-[1,8]naphthyridin-4-yl)-amine Adenosine receptor A2a Homo sapiens 7000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090693&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10801510 103989154 CHEMBL97665 ZINC13579511 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271706 Cc1ccc2c(O)cc(nc2n1)-c1ccc(F)cc1 InChI=1S/C15H11FN2O/c1-9-2-7-12-14(19)8-13(18-15(12)17-9)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19) SNGDBODRLXYCRJ-UHFFFAOYSA-N 50059101 2-(4-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one::2-(4-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol::2-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol::CHEMBL313864 Adenosine receptor A2a Homo sapiens 440 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5468910 103955003 CHEMBL313864 ZINC06488309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271707 CCCc1cc(O)c2ccc(N)nc2n1 InChI=1S/C11H13N3O/c1-2-3-7-6-9(15)8-4-5-10(12)14-11(8)13-7/h4-6H,2-3H2,1H3,(H3,12,13,14,15) IFIXNQRPTOMZCQ-UHFFFAOYSA-N 50147867 7-Amino-2-propyl-[1,8]naphthyridin-4-ol::7-amino-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103588 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147867&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14686957 104036273 CHEMBL103588 ZINC13579588 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271708 Cc1cc(O)c2ccc(=O)[nH]c2n1 InChI=1S/C9H8N2O2/c1-5-4-7(12)6-2-3-8(13)11-9(6)10-5/h2-4H,1H3,(H2,10,11,12,13) ZNEXOVYMUWFZKD-UHFFFAOYSA-N 50147872 7-Methyl-[1,8]naphthyridine-2,5-diol::7-methyl-1,8-naphthyridine-2,5-diol::CHEMBL441815 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147872&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44333135 104036278 CHEMBL441815 ZINC13579582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271710 Cc1ccc2ccc(nc2n1)-c1ccccc1 InChI=1S/C15H12N2/c1-11-7-8-13-9-10-14(17-15(13)16-11)12-5-3-2-4-6-12/h2-10H,1H3 BGLSJWRWFABGNC-UHFFFAOYSA-N 50090686 2-Methyl-7-phenyl-[1,8]naphthyridine::2-methyl-7-phenyl-1,8-naphthyridine::7-Methyl-2-phenyl-1,8-naphthyridine::CHEMBL97344 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090686&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12431922 103989147 CHEMBL97344 ZINC13579537 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271711 Oc1cc(nc2[nH]c(=O)ccc12)-c1ccccc1 InChI=1S/C14H10N2O2/c17-12-8-11(9-4-2-1-3-5-9)15-14-10(12)6-7-13(18)16-14/h1-8H,(H2,15,16,17,18) UYSLLPSTKAYJAM-UHFFFAOYSA-N 50090695 7-Phenyl-[1,8]naphthyridine-2,5-diol::CHEMBL97904 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50090695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10537885 103989156 CHEMBL97904 ZINC13579532 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271713 CCCc1cc(O)c2ccc(N)nc2n1 InChI=1S/C11H13N3O/c1-2-3-7-6-9(15)8-4-5-10(12)14-11(8)13-7/h4-6H,2-3H2,1H3,(H3,12,13,14,15) IFIXNQRPTOMZCQ-UHFFFAOYSA-N 50147867 7-Amino-2-propyl-[1,8]naphthyridin-4-ol::7-amino-2-propyl-1,8-naphthyridin-4-ol::CHEMBL103588 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm030977p 10.7270/Q2BC3Z07 15163184 Ferrarini, PL; Betti, L; Cavallini, T; Giannaccini, G; Lucacchini, A; Manera, C; Martinelli, A; Ortore, G; Saccomanni, G; Tuccinardi, T Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147867&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14686957 104036273 CHEMBL103588 ZINC13579588 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272737 O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C26H22N6O3/c33-22(16-19-10-5-2-6-11-19)29-26-28-17-20(25(34)27-14-13-18-8-3-1-4-9-18)24-30-23(31-32(24)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,34)(H,28,29,33) QTZWGFGOCQGUEI-UHFFFAOYSA-N 50047985 CHEMBL3314882 Adenosine receptor A2a Homo sapiens 28 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047985&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707850 103978549 CHEMBL3314882 ZINC13828041 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272739 CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16N6O4/c1-2-28-17(26)13-11-20-18(23-19(27)21-12-7-4-3-5-8-12)25-16(13)22-15(24-25)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,21,23,27) JJENTLBDQVZIJS-UHFFFAOYSA-N 50047986 CHEMBL3314883 Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047986&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707851 103978550 CHEMBL3314883 ZINC13828099 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272741 CCOC(=C)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C20H24N6O3/c1-3-28-13(2)15-12-21-19(24-20(27)22-14-8-5-4-6-9-14)26-18(15)23-17(25-26)16-10-7-11-29-16/h7,10-12,14H,2-6,8-9H2,1H3,(H2,21,22,24,27) NRSCJCCACLWGQC-UHFFFAOYSA-N 50047987 CHEMBL3314884 Adenosine receptor A2a Homo sapiens 183 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047987&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707852 103978551 CHEMBL3314884 ZINC13828027 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272744 CCOC(=O)c1cnc(NC(=O)Cc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H17N5O4/c1-2-28-19(27)14-12-21-20(22-16(26)11-13-7-4-3-5-8-13)25-18(14)23-17(24-25)15-9-6-10-29-15/h3-10,12H,2,11H2,1H3,(H,21,22,26) WMATVRCFAUYCCA-UHFFFAOYSA-N 50047988 CHEMBL3314885 Adenosine receptor A2a Homo sapiens 42700 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047988&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707853 103978552 CHEMBL3314885 ZINC01551899 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272746 OC(=O)c1cnc(NC(=O)NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H18N6O4/c24-15(25)11-9-18-16(21-17(26)19-10-5-2-1-3-6-10)23-14(11)20-13(22-23)12-7-4-8-27-12/h4,7-10H,1-3,5-6H2,(H,24,25)(H2,18,19,21,26) TYFPZRYPVUUVBV-UHFFFAOYSA-N 50047989 CHEMBL3314886 Adenosine receptor A2a Homo sapiens 24700 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047989&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707854 103978553 CHEMBL3314886 ZINC13828034 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272749 CCOC(=O)c1cnc(NC)n2nc(nc12)-c1ccco1 InChI=1S/C13H13N5O3/c1-3-20-12(19)8-7-15-13(14-2)18-11(8)16-10(17-18)9-5-4-6-21-9/h4-7H,3H2,1-2H3,(H,14,15) JNJYDJMAHYQBPZ-UHFFFAOYSA-N 50047990 CHEMBL3314887 Adenosine receptor A2a Homo sapiens 104 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047990&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 101874280 103978554 CHEMBL3314887 ZINC29478927 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272756 CCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C14H15N5O3/c1-3-15-14-16-8-9(13(20)21-4-2)12-17-11(18-19(12)14)10-6-5-7-22-10/h5-8H,3-4H2,1-2H3,(H,15,16) WNENJDQWBOEYHM-UHFFFAOYSA-N 50047991 CHEMBL3314888 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047991&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707855 313068879 CHEMBL3314888 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272762 CCCCCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C17H21N5O3/c1-3-5-6-9-18-17-19-11-12(16(23)24-4-2)15-20-14(21-22(15)17)13-8-7-10-25-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19) BYVXDGHIVFXMHD-UHFFFAOYSA-N 50047992 CHEMBL3314889 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047992&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707856 313068880 CHEMBL3314889 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272763 CCOC(=O)c1cnc(NC(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C15H17N5O3/c1-4-22-14(21)10-8-16-15(17-9(2)3)20-13(10)18-12(19-20)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,17) UCGUGXYLRHNYAX-UHFFFAOYSA-N 50047993 CHEMBL3314890 Adenosine receptor A2a Homo sapiens 103 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047993&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707857 313068881 CHEMBL3314890 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272769 CCCCC(CC)CNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1 InChI=1S/C20H27N5O3/c1-4-7-9-14(5-2)12-21-20-22-13-15(19(26)27-6-3)18-23-17(24-25(18)20)16-10-8-11-28-16/h8,10-11,13-14H,4-7,9,12H2,1-3H3,(H,21,22) UWLYAOJAQQPBDW-UHFFFAOYSA-N 50047994 CHEMBL3314891 Adenosine receptor A2a Homo sapiens 215 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047994&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707858 313068882 CHEMBL3314891 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272774 CCOC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 InChI=1S/C15H15N5O3/c1-2-22-14(21)10-8-16-15(17-9-5-6-9)20-13(10)18-12(19-20)11-4-3-7-23-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,17) MBXDLCHXRJJXPM-UHFFFAOYSA-N 50047995 CHEMBL3314892 Adenosine receptor A2a Homo sapiens 37 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047995&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707859 313068883 CHEMBL3314892 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272780 CCOC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c1-2-24-16(23)12-10-18-17(19-11-6-3-4-7-11)22-15(12)20-14(21-22)13-8-5-9-25-13/h5,8-11H,2-4,6-7H2,1H3,(H,18,19) KQHDLHPQSBPPHO-UHFFFAOYSA-N 50047996 CHEMBL3314893 Adenosine receptor A2a Homo sapiens 43 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047996&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707860 313068884 CHEMBL3314893 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272788 CCOC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h6,9-10,12-13H,2-5,7-8,11H2,1H3,(H,20,21) XESJVEWZUYGSHL-UHFFFAOYSA-N 50047997 CHEMBL3314894 Adenosine receptor A2a Homo sapiens 121 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047997&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707861 313068885 CHEMBL3314894 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272728 O=C(NC1CCCCC1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1 InChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34) DFSSZVWKIQRZFF-UHFFFAOYSA-N 50047984 CHEMBL3314881 Adenosine receptor A2a Homo sapiens 773 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047984&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707849 103978548 CHEMBL3314881 ZINC13828044 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273846 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(C)cc1 InChI=1S/C20H20N4/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)15-12-10-14(2)11-13-15/h5-8,10-13H,3-4,9H2,1-2H3 BGRNKQLWFCQHRE-UHFFFAOYSA-N 50149107 5-Butyl-2-p-tolyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL121890 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149107&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863234 104037266 CHEMBL121890 ZINC27201541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273847 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-13-18-15-12(10-17-20-15)16-19-14(21-22(13)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20) AYOYRISPVKKGIT-UHFFFAOYSA-N 50145230 5-Butyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340657 Adenosine receptor A2a Homo sapiens >190 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145230&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12128801 104034071 CHEMBL340657 ZINC03945776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273849 COCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C21H18N6O/c1-28-12-11-17-24-20-18(22-13-23-20)21-25-19(26-27(17)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,23) ZCKQZNBYPKNEJN-UHFFFAOYSA-N 50149106 8-Biphenyl-4-yl-5-(2-methoxy-ethyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL125147 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149106&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929288 104037265 CHEMBL125147 ZINC27211492 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273850 CCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C15H14N6/c1-2-6-12-17-14-11(9-16-19-14)15-18-13(20-21(12)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,19) KOSSEJPYQJHMFH-UHFFFAOYSA-N 50149105 2-Phenyl-5-propyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124137 Adenosine receptor A2a Homo sapiens >120 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149105&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12128800 104037264 CHEMBL124137 ZINC27212437 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273851 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C22H20N6/c1-2-3-9-19-24-21-18(14-23-26-21)22-25-20(27-28(19)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,26) PEKGKJUBGJYRIG-UHFFFAOYSA-N 50149109 2-Biphenyl-4-yl-5-butyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340182 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149109&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863206 104037268 CHEMBL340182 ZINC27212023 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273852 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(C)cc1 InChI=1S/C17H18N6/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,21) HIZGJGZWISZREI-UHFFFAOYSA-N 50149110 5-Butyl-2-p-tolyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124725 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149110&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901136 104037269 CHEMBL124725 ZINC03945779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273855 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OCC)cc1 InChI=1S/C21H22N4O/c1-3-5-10-19-22-18-9-7-6-8-17(18)21-23-20(24-25(19)21)15-11-13-16(14-12-15)26-4-2/h6-9,11-14H,3-5,10H2,1-2H3 VRBZTHOUWWMMHJ-UHFFFAOYSA-N 50149113 5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL124138 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149113&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10269139 104037272 CHEMBL124138 ZINC27212441 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273857 CCCCc1nc2cccc(Cl)c2c2nc(nn12)-c1ccccc1 InChI=1S/C19H17ClN4/c1-2-3-12-16-21-15-11-7-10-14(20)17(15)19-22-18(23-24(16)19)13-8-5-4-6-9-13/h4-11H,2-3,12H2,1H3 CRTBOMPXAAGDCM-UHFFFAOYSA-N 50149114 5-Butyl-10-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL341259 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149114&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863179 104037273 CHEMBL341259 ZINC27209624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273859 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C19H17ClN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3 RRVQUSBAKWVBSF-UHFFFAOYSA-N 50149111 5-Butyl-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339529 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149111&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9902350 104037270 CHEMBL339529 ZINC27212449 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273869 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CC)cc1 InChI=1S/C18H20N6/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)13-9-7-12(4-2)8-10-13/h7-11H,3-6H2,1-2H3,(H,19,22) AETNYZOCDUAMMP-UHFFFAOYSA-N 50149121 5-Butyl-2-(4-ethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124724 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149121&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863148 104037280 CHEMBL124724 ZINC27209959 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273872 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19) YXDMIGODCMWMTD-UHFFFAOYSA-N 50117238 5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL121339 Adenosine receptor A2a Homo sapiens >2600 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117238 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117238&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10903531 104010813 CHEMBL121339 ZINC13475515 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273873 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3 WCRWQPZNNMWWDZ-UHFFFAOYSA-N 50149122 2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339066 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149122&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10156654 104037281 CHEMBL339066 ZINC01553316 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273875 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1Cl InChI=1S/C16H15ClN6/c1-2-3-8-13-19-14-11(9-18-21-14)16-20-15(22-23(13)16)10-6-4-5-7-12(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,21) HBNVBMOILJXZFZ-UHFFFAOYSA-N 50149120 5-Butyl-2-(2-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL421611 Adenosine receptor A2a Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149120&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863195 104037279 CHEMBL421611 ZINC27210618 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273879 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C19H16Cl2N4/c1-2-3-4-17-22-16-11-14(21)9-10-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3 UAEQEDBUYPTJIP-UHFFFAOYSA-N 50149125 5-Butyl-8-chloro-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL338837 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149125&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863131 104037284 CHEMBL338837 ZINC27210250 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273881 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C19H16Cl2N4/c1-2-3-4-17-22-16-10-9-14(21)11-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3 BMPWLQYHGXNWJS-UHFFFAOYSA-N 50149104 5-Butyl-9-chloro-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339019 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149104&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863158 104037263 CHEMBL339019 ZINC27209628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273882 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1 InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18) LTQQXOYFDPLYHI-UHFFFAOYSA-N 50117232 5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL122512 Adenosine receptor A2a Homo sapiens 71 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117232&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11779096 104010807 CHEMBL122512 ZINC13475505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273883 OC(=O)CCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C21H16N6O2/c28-17(29)11-10-16-24-20-18(22-12-23-20)21-25-19(26-27(16)21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,28,29) WOQBHNVICZCBNX-UHFFFAOYSA-N 50149127 3-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-propionic acid::CHEMBL125339 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149127&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929958 104037286 CHEMBL125339 ZINC27210471 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273888 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H15ClN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21) JNERZSAIKWMKMW-UHFFFAOYSA-N 50149126 5-Butyl-2-(4-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL122037 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149126&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9858553 104037285 CHEMBL122037 ZINC03945778 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273891 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1 InChI=1S/C16H13ClN6O2/c17-10-6-4-9(5-7-10)14-21-16-13-15(19-8-18-13)20-11(23(16)22-14)2-1-3-12(24)25/h4-8H,1-3H2,(H,18,19)(H,24,25) VNYSEWPMOHKCQD-UHFFFAOYSA-N 50149124 4-[8-(4-Chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purin-5-yl]-butyric acid::CHEMBL125340 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149124&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9928653 104037283 CHEMBL125340 ZINC27210474 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273892 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(F)cc1 InChI=1S/C19H17FN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3 KJIQSUJEJLAYFO-UHFFFAOYSA-N 50149108 5-Butyl-2-(4-fluoro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL434639 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149108&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863215 104037267 CHEMBL434639 ZINC27212445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273899 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C22H20N6/c1-2-3-9-18-25-21-19(23-14-24-21)22-26-20(27-28(18)22)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,23,24) IFTUCNITHWUROU-UHFFFAOYSA-N 50117219 8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123346 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117219&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11046842 104010794 CHEMBL123346 ZINC13475522 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273900 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C17H18N6O/c1-3-4-5-14-19-16-13(10-18-21-16)17-20-15(22-23(14)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,21) GWGQYZRMKQHEFF-UHFFFAOYSA-N 50145227 5-Butyl-2-(4-methoxy-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL126061 Adenosine receptor A2a Homo sapiens 2600 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145227&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863139 104034068 CHEMBL126061 ZINC27207769 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273901 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3 PEZCSWMLDAUORD-UHFFFAOYSA-N 50149123 5-Butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL339556 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149123&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10131882 104037282 CHEMBL339556 ZINC27213350 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273902 CCc1nc2n[nH]cc2c2nc(nn12)-c1ccccc1 InChI=1S/C14H12N6/c1-2-11-16-13-10(8-15-18-13)14-17-12(19-20(11)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18) MHWGNSVLNNQWIZ-UHFFFAOYSA-N 50149118 5-Ethyl-2-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340221 Adenosine receptor A2a Homo sapiens 310 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149118&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12128799 104037277 CHEMBL340221 ZINC27209955 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273905 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-13-22-15-12(9-21-24-15)16-23-14(25-26(13)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,24) IOGBBWGNBNVHQJ-UHFFFAOYSA-N 50145228 5-Butyl-2-(4-trifluoromethyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL332577 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145228&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863156 104034069 CHEMBL332577 ZINC27215905 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272792 CCOC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H17N5O3/c1-2-26-18(25)14-12-21-19(20-11-13-7-4-3-5-8-13)24-17(14)22-16(23-24)15-9-6-10-27-15/h3-10,12H,2,11H2,1H3,(H,20,21) WGWSSUNZPXDWCE-UHFFFAOYSA-N 50048011 CHEMBL3314895 Adenosine receptor A2a Homo sapiens 32 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048011&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707862 103978568 CHEMBL3314895 ZINC00004875 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272807 CCOC(=O)c1cnc(NCc2ccc(C)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H19N5O3/c1-3-27-19(26)15-12-22-20(21-11-14-8-6-13(2)7-9-14)25-18(15)23-17(24-25)16-5-4-10-28-16/h4-10,12H,3,11H2,1-2H3,(H,21,22) LMDLTPLDFIQQJX-UHFFFAOYSA-N 50048012 CHEMBL3314896 Adenosine receptor A2a Homo sapiens 122 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048012&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707863 313068886 CHEMBL3314896 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272808 CCOC(=O)c1cnc(NCc2ccc(OC)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C20H19N5O4/c1-3-28-19(26)15-12-22-20(21-11-13-6-8-14(27-2)9-7-13)25-18(15)23-17(24-25)16-5-4-10-29-16/h4-10,12H,3,11H2,1-2H3,(H,21,22) PLXYZBPDEWWLHQ-UHFFFAOYSA-N 50048013 CHEMBL3314897 Adenosine receptor A2a Homo sapiens 142 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707864 313068887 CHEMBL3314897 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272819 CCOC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16FN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22) QZWUMCQUZKEPGT-UHFFFAOYSA-N 50048014 CHEMBL3314898 Adenosine receptor A2a Homo sapiens 39 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048014 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048014&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707865 313068888 CHEMBL3314898 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272821 CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C19H16ClN5O3/c1-2-27-18(26)14-11-22-19(21-10-12-5-7-13(20)8-6-12)25-17(14)23-16(24-25)15-4-3-9-28-15/h3-9,11H,2,10H2,1H3,(H,21,22) WKDIXLOBNDTWJA-UHFFFAOYSA-N 50048015 CHEMBL3314899 Adenosine receptor A2a Homo sapiens 73 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048015&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707866 313068889 CHEMBL3314899 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272824 CCOC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1 InChI=1S/C20H16F3N5O3/c1-2-30-18(29)14-11-25-19(24-10-12-5-7-13(8-6-12)20(21,22)23)28-17(14)26-16(27-28)15-4-3-9-31-15/h3-9,11H,2,10H2,1H3,(H,24,25) QQZCBTKNQSEZOZ-UHFFFAOYSA-N 50048016 CHEMBL3314900 Adenosine receptor A2a Homo sapiens 209 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048016&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707867 313068890 CHEMBL3314900 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272826 CCOC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C25H21N5O3/c1-2-32-24(31)20-16-27-25(30-23(20)28-22(29-30)21-9-6-14-33-21)26-15-17-10-12-19(13-11-17)18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H,26,27) RDPQQFRZIZWHKI-UHFFFAOYSA-N 50048017 CHEMBL3314901 Adenosine receptor A2a Homo sapiens 187 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048017 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048017&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707868 313068891 CHEMBL3314901 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272827 CCOC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C25H21N5O3/c1-2-32-24(31)19-16-26-25(30-23(19)28-22(29-30)20-14-9-15-33-20)27-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3,(H,26,27) KNEFPOCSBQYCAB-UHFFFAOYSA-N 50048018 CHEMBL3314902 Adenosine receptor A2a Homo sapiens 385 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048018&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707869 313068892 CHEMBL3314902 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272831 CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O3/c1-2-23-15(22)11-9-17-16(18-10-5-3-6-10)21-14(11)19-13(20-21)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,18) PTLUTVCULNPCPA-UHFFFAOYSA-N 50048020 CHEMBL3314903 Adenosine receptor A2a Homo sapiens 29 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707870 313068893 CHEMBL3314903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272836 CCOC(=O)c1cnc(NC2CCCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C19H23N5O3/c1-2-26-18(25)14-12-20-19(21-13-8-5-3-4-6-9-13)24-17(14)22-16(23-24)15-10-7-11-27-15/h7,10-13H,2-6,8-9H2,1H3,(H,20,21) BVCLEYHJQVAWKA-UHFFFAOYSA-N 50048021 CHEMBL3314904 Adenosine receptor A2a Homo sapiens 235 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707871 313068894 CHEMBL3314904 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272845 CCCC(=C)C1=CC=C(CC2CCCCCCC2)C2C=C(C=C12)C1=CC=CC1 InChI=1S/C28H36/c1-3-11-21(2)26-17-16-24(18-22-12-7-5-4-6-8-13-22)27-19-25(20-28(26)27)23-14-9-10-15-23/h9-10,14,16-17,19-20,22,27H,2-8,11-13,15,18H2,1H3 JCHIJSKPJOYLNK-UHFFFAOYSA-N 50048022 CHEMBL3314905 Adenosine receptor A2a Homo sapiens 351 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048022&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707872 103978570 CHEMBL3314905 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272853 CCOC(=O)c1cnc(N2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O3/c1-2-23-15(22)11-10-17-16(20-7-3-4-8-20)21-14(11)18-13(19-21)12-6-5-9-24-12/h5-6,9-10H,2-4,7-8H2,1H3 YXPRLIQLCNQBBZ-UHFFFAOYSA-N 50048023 CHEMBL3314906 Adenosine receptor A2a Homo sapiens 10200 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048023&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707873 103978571 CHEMBL3314906 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273908 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C19H16BrClN4/c1-2-3-4-17-22-16-10-9-14(21)11-15(16)19-23-18(24-25(17)19)12-5-7-13(20)8-6-12/h5-11H,2-4H2,1H3 SBOUSZPEVGCOIR-UHFFFAOYSA-N 50149130 2-(4-Bromo-phenyl)-5-butyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL124659 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149130&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10180118 104037289 CHEMBL124659 ZINC27204781 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273909 CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22) IOICVMMVGWPRCC-UHFFFAOYSA-N 50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9863684 104010790 CHEMBL123705 ZINC13475521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273914 CCCCc1nc2cc(C)ccc2c2nc(nn12)-c1ccccc1 InChI=1S/C20H20N4/c1-3-4-10-18-21-17-13-14(2)11-12-16(17)20-22-19(23-24(18)20)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3 FUILGHGNKWLVDT-UHFFFAOYSA-N 50149119 5-Butyl-8-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL123694 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149119&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863168 104037278 CHEMBL123694 ZINC27212784 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273926 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(cc1)C(C)(C)C InChI=1S/C20H24N6/c1-5-6-7-16-22-18-15(12-21-24-18)19-23-17(25-26(16)19)13-8-10-14(11-9-13)20(2,3)4/h8-12H,5-7H2,1-4H3,(H,21,24) BIQMGNJABZQRKZ-UHFFFAOYSA-N 50149131 5-Butyl-2-(4-tert-butyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL331837 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863191 104037290 CHEMBL331837 ZINC27211791 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273928 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(F)cc1 InChI=1S/C16H15FN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21) RSVAACUKXIGIGQ-UHFFFAOYSA-N 50149112 5-Butyl-2-(4-fluoro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL339218 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149112&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9839670 104037271 CHEMBL339218 ZINC03945777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273931 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1cccc(Cl)c1 InChI=1S/C16H15ClN6/c1-2-3-7-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,21) GJFLKCHEPONTBP-UHFFFAOYSA-N 50149117 5-Butyl-2-(3-chloro-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL124900 Adenosine receptor A2a Homo sapiens 760 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149117&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863183 104037276 CHEMBL124900 ZINC27210614 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273932 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(O)cc1 InChI=1S/C19H18N4O/c1-2-3-8-17-20-16-7-5-4-6-15(16)19-21-18(22-23(17)19)13-9-11-14(24)12-10-13/h4-7,9-12,24H,2-3,8H2,1H3 LNTJHSDODUWPHB-UHFFFAOYSA-N 50149116 4-(5-Butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-phenol::CHEMBL338057 Adenosine receptor A2a Homo sapiens 5300 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149116&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863214 104037275 CHEMBL338057 ZINC27201199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273934 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C20H20N4O/c1-3-4-9-18-21-17-8-6-5-7-16(17)20-22-19(23-24(18)20)14-10-12-15(25-2)13-11-14/h5-8,10-13H,3-4,9H2,1-2H3 FJEGWKXECAUOJE-UHFFFAOYSA-N 50145231 5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL341041 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863152 104034072 CHEMBL341041 ZINC27210197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273936 OC(=O)CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C23H20N6O2/c30-19(31)9-5-4-8-18-26-22-20(24-14-25-22)23-27-21(28-29(18)23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,24,25)(H,30,31) ACSUGMMZMHLDIS-UHFFFAOYSA-N 50149132 5-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-pentanoic acid::CHEMBL124887 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9909591 104037291 CHEMBL124887 ZINC27207375 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273938 OC(=O)CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C22H18N6O2/c29-18(30)8-4-7-17-25-21-19(23-13-24-21)22-26-20(27-28(17)22)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2,(H,23,24)(H,29,30) OYQOWKWBEOPZQB-UHFFFAOYSA-N 50149129 4-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-butyric acid::CHEMBL332800 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149129&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9930740 104037288 CHEMBL332800 ZINC27211488 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273939 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(OCC)cc1 InChI=1S/C18H20N6O/c1-3-5-6-15-20-17-14(11-19-22-17)18-21-16(23-24(15)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,22) BOCFELXCIAJFIY-UHFFFAOYSA-N 50149136 5-Butyl-2-(4-ethoxy-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL340262 Adenosine receptor A2a Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149136&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863213 104037295 CHEMBL340262 ZINC27211344 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273941 CCCCc1nc2ccccc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H18N4/c1-2-3-13-17-20-16-12-8-7-11-15(16)19-21-18(22-23(17)19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 SDCHIFHLMZWSKY-UHFFFAOYSA-N 50145226 5-Butyl-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340580 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863210 104034067 CHEMBL340580 ZINC27213781 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273942 CCCCc1nc2ccccc2c2nc(nn12)-c1ccco1 InChI=1S/C17H16N4O/c1-2-3-10-15-18-13-8-5-4-7-12(13)17-19-16(20-21(15)17)14-9-6-11-22-14/h4-9,11H,2-3,10H2,1H3 DUVJCJZWDVLQBK-UHFFFAOYSA-N 50149135 5-Butyl-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL122230 Adenosine receptor A2a Homo sapiens >650 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149135&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863145 104037294 CHEMBL122230 ZINC27204320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273944 CCCCc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-11-8-14(21)12-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3 RJBNBAZSSSSPMS-UHFFFAOYSA-N 50149103 5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL124897 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149103&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863130 104037262 CHEMBL124897 ZINC27210015 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273949 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccc(OC)cc1 InChI=1S/C20H19ClN4O/c1-3-4-5-18-22-17-12-14(21)8-11-16(17)20-23-19(24-25(18)20)13-6-9-15(26-2)10-7-13/h6-12H,3-5H2,1-2H3 AFOAUYNWESKTRA-UHFFFAOYSA-N 50149133 5-Butyl-8-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL123669 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149133&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863136 104037292 CHEMBL123669 ZINC27213354 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273951 CCCCc1nc2cc(Cl)ccc2c2nc(nn12)-c1ccccc1 InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-12-14(20)10-11-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3 ZVVHMFIRNDDYIF-UHFFFAOYSA-N 50149115 5-Butyl-8-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL340093 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149115&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863209 104037274 CHEMBL340093 ZINC27208161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273954 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)-c1ccccc1 InChI=1S/C25H22N4/c1-2-3-13-23-26-22-12-8-7-11-21(22)25-27-24(28-29(23)25)20-16-14-19(15-17-20)18-9-5-4-6-10-18/h4-12,14-17H,2-3,13H2,1H3 DYHFJXOVRONMPZ-UHFFFAOYSA-N 50149137 2-Biphenyl-4-yl-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL122163 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149137&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863186 104037296 CHEMBL122163 ZINC27205865 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273956 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(Br)cc1 InChI=1S/C16H15BrN6/c1-2-3-4-13-19-15-12(9-18-21-15)16-20-14(22-23(13)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,21) ZSWRTMDVMLUGQO-UHFFFAOYSA-N 50149128 2-(4-Bromo-phenyl)-5-butyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL126150 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12993065 104037287 CHEMBL126150 ZINC27204744 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273958 CCCCc1nc2ccccc2c2nc(nn12)-c1ccc(cc1)C(F)(F)F InChI=1S/C20H17F3N4/c1-2-3-8-17-24-16-7-5-4-6-15(16)19-25-18(26-27(17)19)13-9-11-14(12-10-13)20(21,22)23/h4-7,9-12H,2-3,8H2,1H3 LMLTXGAUQANHND-UHFFFAOYSA-N 50145229 5-Butyl-2-(4-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline::CHEMBL125288 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50145229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50145229&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863224 104034070 CHEMBL125288 ZINC27209240 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50273963 CCCCc1nc2n[nH]cc2c2nc(nn12)-c1ccc(CCC)cc1 InChI=1S/C19H22N6/c1-3-5-7-16-21-18-15(12-20-23-18)19-22-17(24-25(16)19)14-10-8-13(6-4-2)9-11-14/h8-12H,3-7H2,1-2H3,(H,20,23) MTVNWEBRILZLFJ-UHFFFAOYSA-N 50149134 5-Butyl-2-(4-propyl-phenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL125062 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2004.04.099 10.7270/Q21R6PZM 15203160 Okamura, T; Kurogi, Y; Hashimoto, K; Sato, S; Nishikawa, H; Kiryu, K; Nagao, Y Otsuka Pharmaceutical Factory, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149134&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 17863137 104037293 CHEMBL125062 ZINC27209696 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272861 CCOC(=O)c1cnc(N2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c1-2-24-16(23)12-11-18-17(21-8-4-3-5-9-21)22-15(12)19-14(20-22)13-7-6-10-25-13/h6-7,10-11H,2-5,8-9H2,1H3 OHWDRCWCHNWDSA-UHFFFAOYSA-N 50048024 CHEMBL3314907 Adenosine receptor A2a Homo sapiens 8180 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048024&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707874 103978572 CHEMBL3314907 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272899 CCOC(=O)c1cnc(NCCOC)n2nc(nc12)-c1ccco1 InChI=1S/C15H17N5O4/c1-3-23-14(21)10-9-17-15(16-6-8-22-2)20-13(10)18-12(19-20)11-5-4-7-24-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17) SQXDUEUOZAKGTJ-UHFFFAOYSA-N 50048026 CHEMBL3314908 Adenosine receptor A2a Homo sapiens 292 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 69846372 103978574 CHEMBL3314908 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272900 CCOC(=O)c1cnc(N(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C14H15N5O3/c1-4-21-13(20)9-8-15-14(18(2)3)19-12(9)16-11(17-19)10-6-5-7-22-10/h5-8H,4H2,1-3H3 ZNWCUZMDMIZYKM-UHFFFAOYSA-N 50048027 CHEMBL3314909 Adenosine receptor A2a Homo sapiens 6480 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048027&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707875 103978575 CHEMBL3314909 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272901 CCOC(=O)c1cnc(N2CCOCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H17N5O4/c1-2-24-15(22)11-10-17-16(20-5-8-23-9-6-20)21-14(11)18-13(19-21)12-4-3-7-25-12/h3-4,7,10H,2,5-6,8-9H2,1H3 TUECGVFALVZAQU-UHFFFAOYSA-N 50048028 CHEMBL3314910 Adenosine receptor A2a Homo sapiens 17600 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707876 313068895 CHEMBL3314910 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272902 CCOC(=O)c1cnc(NC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C18H21N5O3/c1-2-25-17(24)13-11-19-18(20-12-7-4-3-5-8-12)23-16(13)21-15(22-23)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,20) JHULGSFPNSGSIM-UHFFFAOYSA-N 50048029 CHEMBL3314911 Adenosine receptor A2a Homo sapiens 59 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048029&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707877 313068896 CHEMBL3314911 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272903 CCOC(=O)c1cnc(NN2CCOCC2)n2nc(nc12)-c1ccco1 InChI=1S/C16H18N6O4/c1-2-25-15(23)11-10-17-16(20-21-5-8-24-9-6-21)22-14(11)18-13(19-22)12-4-3-7-26-12/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,17,20) SCANRMYHTKJLCR-UHFFFAOYSA-N 50048030 CHEMBL3314912 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048030&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707878 313068897 CHEMBL3314912 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272904 CCOC(=O)c1cnc(NCC(C)C)n2nc(nc12)-c1ccco1 InChI=1S/C16H19N5O3/c1-4-23-15(22)11-9-18-16(17-8-10(2)3)21-14(11)19-13(20-21)12-6-5-7-24-12/h5-7,9-10H,4,8H2,1-3H3,(H,17,18) ZZXIVHBZTITUIW-UHFFFAOYSA-N 50048031 CHEMBL3314913 Adenosine receptor A2a Homo sapiens 44 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048031&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707879 313068898 CHEMBL3314913 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272905 CCOC(=O)c1cnc(NOC)n2nc(nc12)-c1ccco1 InChI=1S/C13H13N5O4/c1-3-21-12(19)8-7-14-13(17-20-2)18-11(8)15-10(16-18)9-5-4-6-22-9/h4-7H,3H2,1-2H3,(H,14,17) IRZJBPUHUWWPCT-UHFFFAOYSA-N 50048032 CHEMBL3314914 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707880 313068899 CHEMBL3314914 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272906 CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C11H9N5O3/c1-12-11-13-5-6(10(17)18)9-14-8(15-16(9)11)7-3-2-4-19-7/h2-5H,1H3,(H,12,13)(H,17,18) DYSUREWISUEKOO-UHFFFAOYSA-N 50048033 CHEMBL3314915 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048033&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707881 313068900 CHEMBL3314915 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272907 CCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C12H11N5O3/c1-2-13-12-14-6-7(11(18)19)10-15-9(16-17(10)12)8-4-3-5-20-8/h3-6H,2H2,1H3,(H,13,14)(H,18,19) ZKXDVIJDWCKBCG-UHFFFAOYSA-N 50048034 CHEMBL3314916 Adenosine receptor A2a Homo sapiens 3680 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048034&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707882 313068901 CHEMBL3314916 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272908 CCCCCNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C15H17N5O3/c1-2-3-4-7-16-15-17-9-10(14(21)22)13-18-12(19-20(13)15)11-6-5-8-23-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,21,22) IZOYRNZUKBFKMC-UHFFFAOYSA-N 50048035 CHEMBL3314917 Adenosine receptor A2a Homo sapiens 26900 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048035&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707883 313068902 CHEMBL3314917 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272909 CC(C)Nc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C13H13N5O3/c1-7(2)15-13-14-6-8(12(19)20)11-16-10(17-18(11)13)9-4-3-5-21-9/h3-7H,1-2H3,(H,14,15)(H,19,20) XCVQRDMKSKEIRQ-UHFFFAOYSA-N 50048036 CHEMBL3314918 Adenosine receptor A2a Homo sapiens 7660 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048036&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707884 313068903 CHEMBL3314918 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272910 CCCCC(CC)CNc1ncc(C(O)=O)c2nc(nn12)-c1ccco1 InChI=1S/C18H23N5O3/c1-3-5-7-12(4-2)10-19-18-20-11-13(17(24)25)16-21-15(22-23(16)18)14-8-6-9-26-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,20)(H,24,25) TZOGMSFSIZUEEN-UHFFFAOYSA-N 50048037 CHEMBL3314919 Adenosine receptor A2a Homo sapiens 33800 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048037&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707885 313068904 CHEMBL3314919 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272911 OC(=O)c1cnc(NC2CC2)n2nc(nc12)-c1ccco1 InChI=1S/C13H11N5O3/c19-12(20)8-6-14-13(15-7-3-4-7)18-11(8)16-10(17-18)9-2-1-5-21-9/h1-2,5-7H,3-4H2,(H,14,15)(H,19,20) ICESLOOIFGQLHE-UHFFFAOYSA-N 50048038 CHEMBL3314920 Adenosine receptor A2a Homo sapiens 596 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048038&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707886 313068905 CHEMBL3314920 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272912 OC(=O)c1cnc(NC2CCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C15H15N5O3/c21-14(22)10-8-16-15(17-9-4-1-2-5-9)20-13(10)18-12(19-20)11-6-3-7-23-11/h3,6-9H,1-2,4-5H2,(H,16,17)(H,21,22) ZJQWYVBMMUUXKV-UHFFFAOYSA-N 50048039 CHEMBL3314921 Adenosine receptor A2a Homo sapiens 37300 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048039&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707887 313068906 CHEMBL3314921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272913 OC(=O)c1cnc(NCC2CCCCC2)n2nc(nc12)-c1ccco1 InChI=1S/C17H19N5O3/c23-16(24)12-10-19-17(18-9-11-5-2-1-3-6-11)22-15(12)20-14(21-22)13-7-4-8-25-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,18,19)(H,23,24) INYVMKRWJFKMDL-UHFFFAOYSA-N 50048040 CHEMBL3314922 Adenosine receptor A2a Homo sapiens 33900 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048040&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707888 313068907 CHEMBL3314922 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272914 OC(=O)c1cnc(NCc2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H13N5O3/c23-16(24)12-10-19-17(18-9-11-5-2-1-3-6-11)22-15(12)20-14(21-22)13-7-4-8-25-13/h1-8,10H,9H2,(H,18,19)(H,23,24) PNVBRZLGOOYTAM-UHFFFAOYSA-N 50048041 CHEMBL3314923 Adenosine receptor A2a Homo sapiens 3660 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048041&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707889 313068908 CHEMBL3314923 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272915 Cc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H15N5O3/c1-11-4-6-12(7-5-11)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-26-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25) PQENFDKFKUKZEC-UHFFFAOYSA-N 50048042 CHEMBL3314924 Adenosine receptor A2a Homo sapiens 1190 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048042&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707890 313068909 CHEMBL3314924 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272916 COc1ccc(CNc2ncc(C(O)=O)c3nc(nn23)-c2ccco2)cc1 InChI=1S/C18H15N5O4/c1-26-12-6-4-11(5-7-12)9-19-18-20-10-13(17(24)25)16-21-15(22-23(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,19,20)(H,24,25) IWSIZNDPYKQFNO-UHFFFAOYSA-N 50048054 CHEMBL3314925 Adenosine receptor A2a Homo sapiens 12400 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707891 103978587 CHEMBL3314925 ZINC29557215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272945 OC(=O)c1cnc(NCc2ccc(F)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H12FN5O3/c18-11-5-3-10(4-6-11)8-19-17-20-9-12(16(24)25)15-21-14(22-23(15)17)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,20)(H,24,25) IEWTUUNJURMVEY-UHFFFAOYSA-N 50048055 CHEMBL3314926 Adenosine receptor A2a Homo sapiens 6390 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048055&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707892 103978588 CHEMBL3314926 ZINC13831920 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272946 OC(=O)c1cnc(NCc2ccc(Cl)cc2)n2nc(nc12)-c1ccco1 InChI=1S/C17H12ClN5O3/c18-11-5-3-10(4-6-11)8-19-17-20-9-12(16(24)25)15-21-14(22-23(15)17)13-2-1-7-26-13/h1-7,9H,8H2,(H,19,20)(H,24,25) PMDMFBXAOGSHBR-UHFFFAOYSA-N 50048056 CHEMBL3314927 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048056&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707893 103978589 CHEMBL3314927 ZINC29545941 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272966 OC(=O)c1cnc(NCc2ccc(cc2)C(F)(F)F)n2nc(nc12)-c1ccco1 InChI=1S/C18H12F3N5O3/c19-18(20,21)11-5-3-10(4-6-11)8-22-17-23-9-12(16(27)28)15-24-14(25-26(15)17)13-2-1-7-29-13/h1-7,9H,8H2,(H,22,23)(H,27,28) BWADQIPIUTYRQG-UHFFFAOYSA-N 50047974 CHEMBL3314928 Adenosine receptor A2a Homo sapiens 18000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047974&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707894 103978538 CHEMBL3314928 ZINC13828056 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272968 OC(=O)c1cnc(NCc2ccc(cc2)-c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C23H17N5O3/c29-22(30)18-14-25-23(28-21(18)26-20(27-28)19-7-4-12-31-19)24-13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,24,25)(H,29,30) RDCDEVVTNGEMML-UHFFFAOYSA-N 50047975 CHEMBL3314929 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047975&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707895 103978539 CHEMBL3314929 ZINC13828053 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272969 OC(=O)c1cnc(NC(c2ccccc2)c2ccccc2)n2nc(nc12)-c1ccco1 InChI=1S/C23H17N5O3/c29-22(30)17-14-24-23(28-21(17)26-20(27-28)18-12-7-13-31-18)25-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,24,25)(H,29,30) LFIHRYNORHVKFJ-UHFFFAOYSA-N 50047976 CHEMBL3314930 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm500752h 10.7270/Q2FT8NPS 24972108 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047976&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707896 103978540 CHEMBL3314930 ZINC13828087 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50266441 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13 InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3 XKGPHJMKJBEURD-UHFFFAOYSA-N 50445614 CHEMBL3104093 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2014.05.016 10.7270/Q28K7BQ5 24863744 Rajagopalan, P; Tracey, H; Chen, Z; Bandyopadhyaya, A; Veeraraghavan, S; Rajagopalan, DR; Salvemini, D; McPhee, I; Viswanadha, S; Rajagopalan, R University of Missouri http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50445614&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73213196 194943510 CHEMBL3104093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271132 COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-12(19)16-20-15(21-23(16)8-10)13-4-5-14(18)26-13/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m1/s1 YKCZVFYOXMAMHO-LLVKDONJSA-N 50147636 CHEMBL110646::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-((R)-2-methoxymethyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147636&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340390 104036098 CHEMBL110646 ZINC26974848 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271133 Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCCC1 InChI=1S/C16H17N5O2/c17-12-9-11(16(22)20-6-2-1-3-7-20)10-21-15(12)18-14(19-21)13-5-4-8-23-13/h4-5,8-10H,1-3,6-7,17H2 CYKVQNDMYGJBHU-UHFFFAOYSA-N 50147635 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-piperidin-1-yl-methanone::CHEMBL109753 Adenosine receptor A2a Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147635&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23438858 104036097 CHEMBL109753 ZINC26975769 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271134 Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCCC1 InChI=1S/C17H19N5O2/c1-11-5-6-14(24-11)15-19-16-13(18)9-12(10-22(16)20-15)17(23)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,18H2,1H3 GAYRSWBLTWEKKG-UHFFFAOYSA-N 50147634 CHEMBL419191::[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147634&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9945155 104036096 CHEMBL419191 ZINC26977932 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271135 Cc1ccc(o1)-c1nc2c(N)cc(cn2n1)C(=O)N1CCCC1 InChI=1S/C16H17N5O2/c1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,17H2,1H3 HFXWHDXIYAZHEK-UHFFFAOYSA-N 50147633 CHEMBL432624::[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147633&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901296 104036095 CHEMBL432624 ZINC26984544 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271137 Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCCC1 InChI=1S/C16H17N5O2/c17-13-9-11(16(22)20-6-2-1-3-7-20)10-14-18-15(19-21(13)14)12-5-4-8-23-12/h4-5,8-10H,1-3,6-7,17H2 LUUSEYRGIWCHGC-UHFFFAOYSA-N 50147637 (5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-piperidin-1-yl-methanone::CHEMBL109845 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147637&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9879745 104036099 CHEMBL109845 ZINC26977235 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271138 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCCC1 InChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2 VWUDJZSWHLDCHS-UHFFFAOYSA-N 50147638 CHEMBL324077::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147638&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10134958 104036100 CHEMBL324077 ZINC26988178 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271139 COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-12(19)16-20-15(21-23(16)8-10)13-4-5-14(18)26-13/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1 YKCZVFYOXMAMHO-NSHDSACASA-N 50147639 CHEMBL110047::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-((S)-2-methoxymethyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147639&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10112838 104036101 CHEMBL110047 ZINC03991481 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271140 Nc1cc(cn2nc(nc12)-c1ccccn1)C(=O)N1CCCC1 InChI=1S/C16H16N6O/c17-12-9-11(16(23)21-7-3-4-8-21)10-22-15(12)19-14(20-22)13-5-1-2-6-18-13/h1-2,5-6,9-10H,3-4,7-8,17H2 FJTXPRDDULEHMN-UHFFFAOYSA-N 50147640 (8-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone::CHEMBL112249 Adenosine receptor A2a Homo sapiens 192 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147640&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20620151 104036102 CHEMBL112249 ZINC26986643 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271141 Nc1cc(cn2nc(nc12)-c1cccs1)C(=O)N1CCCC1 InChI=1S/C15H15N5OS/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2 GQKCFPTZFMHPET-UHFFFAOYSA-N 50147642 (8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone::CHEMBL433162 Adenosine receptor A2a Homo sapiens 197 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147642&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20620157 104036104 CHEMBL433162 ZINC26975784 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271142 CC1CCCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-12(19)16-20-15(21-23(16)9-11)13-5-6-14(18)25-13/h5-6,8-10H,2-4,7,19H2,1H3 PECRJJWHKHDVOH-UHFFFAOYSA-N 50147641 CHEMBL325993::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methyl-piperidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 62 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147641&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10135831 104036103 CHEMBL325993 ZINC26972208 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271143 CC1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O2/c1-10-3-2-6-22(8-10)17(24)11-7-12(19)16-20-15(21-23(16)9-11)13-4-5-14(18)25-13/h4-5,7,9-10H,2-3,6,8,19H2,1H3 CTENSBDICWZOOZ-UHFFFAOYSA-N 50147643 CHEMBL113542::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methyl-piperidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147643&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10158069 104036105 CHEMBL113542 ZINC13974335 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271144 CN(CCc1ccccc1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-17(22)26-18(12-14)23-19(24-26)15-7-8-16(21)28-15/h2-8,11-12H,9-10,22H2,1H3 HDKINKSPHQOMIM-UHFFFAOYSA-N 50147644 5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid methyl-phenethyl-amide::CHEMBL420307 Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147644&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23552495 104036106 CHEMBL420307 ZINC26981017 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271145 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCSCC1 InChI=1S/C15H14BrN5O2S/c16-11-2-1-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-3-5-24-6-4-20/h1-2,7-8H,3-6,17H2 RDPMRMYENXQAQU-UHFFFAOYSA-N 50147646 CHEMBL325237::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-thiomorpholin-4-yl-methanone Adenosine receptor A2a Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147646&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 18677531 104036108 CHEMBL325237 ZINC26997298 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271146 CCCN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-4-5-12(16)23-11/h4-5,7-8H,3,6,17H2,1-2H3 CRJKDPUUJDEQAN-UHFFFAOYSA-N 50147645 8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid methyl-propyl-amide::CHEMBL113009 Adenosine receptor A2a Homo sapiens 44 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147645&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10110171 104036107 CHEMBL113009 ZINC26984971 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271147 CCN(CC)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C15H16BrN5O2/c1-3-20(4-2)15(22)9-7-12(17)21-13(8-9)18-14(19-21)10-5-6-11(16)23-10/h5-8H,3-4,17H2,1-2H3 MMYMZKBXMZBLCX-UHFFFAOYSA-N 50147647 5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid diethylamide::CHEMBL110069 Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147647&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9969881 104036109 CHEMBL110069 ZINC26977943 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271148 CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(12-13)21(30)14-10-17(23)28-18(11-14)24-19(25-28)15-7-8-16(22)31-15/h7-8,10-11,13H,3-6,9,12,23H2,1-2H3 LQZAHZGFSYNUER-UHFFFAOYSA-N 50147648 1-[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-piperidine-3-carboxylic acid diethylamide::CHEMBL332718 Adenosine receptor A2a Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147648&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10206584 104036110 CHEMBL332718 ZINC26983422 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271149 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCCC1 InChI=1S/C16H16BrN5O2/c17-13-5-4-12(24-13)14-19-15-11(18)8-10(9-22(15)20-14)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2 SABQIWHZZCNQTM-UHFFFAOYSA-N 50147649 CHEMBL113376::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147649&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10178449 104036111 CHEMBL113376 ZINC26983117 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271150 CCN(CC)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C15H16BrN5O2/c1-3-20(4-2)15(22)9-7-10(17)14-18-13(19-21(14)8-9)11-5-6-12(16)23-11/h5-8H,3-4,17H2,1-2H3 ZWNVEYTUQBSCJE-UHFFFAOYSA-N 50147650 8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid diethylamide::CHEMBL113189 Adenosine receptor A2a Homo sapiens 277 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147650&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20620161 104036112 CHEMBL113189 ZINC26982879 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271151 CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C16H17BrN6O3/c1-21(2)14(24)8-22(3)16(25)9-6-12(18)23-13(7-9)19-15(20-23)10-4-5-11(17)26-10/h4-7H,8,18H2,1-3H3 RLCNXJPHPVALBJ-UHFFFAOYSA-N 50147651 5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid dimethylcarbamoylmethyl-methyl-amide::CHEMBL112631 Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147651&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9823491 104036113 CHEMBL112631 ZINC26991209 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271152 CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-15(22)19-24-18(25-27(19)12-13)16-6-7-17(21)29-16/h3-7,9,11-12H,2,8,10,22H2,1H3 INIVWEDKAZDPCZ-UHFFFAOYSA-N 50147652 8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid ethyl-(2-pyridin-2-yl-ethyl)-amide::CHEMBL113468 Adenosine receptor A2a Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147652&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10297926 104036114 CHEMBL113468 ZINC26981960 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271153 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCSCC1 InChI=1S/C15H14BrN5O2S/c16-12-2-1-11(23-12)13-18-14-10(17)7-9(8-21(14)19-13)15(22)20-3-5-24-6-4-20/h1-2,7-8H,3-6,17H2 AOZIOKRQIGVBSF-UHFFFAOYSA-N 50147653 CHEMBL323754::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-yl-methanone Adenosine receptor A2a Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147653&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10179603 104036115 CHEMBL323754 ZINC26987183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271154 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 0.600000 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271155 CC1CCCN(C1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O2/c1-10-3-2-6-22(9-10)17(24)11-7-14(19)23-15(8-11)20-16(21-23)12-4-5-13(18)25-12/h4-5,7-8,10H,2-3,6,9,19H2,1H3 UMTFFODMNAHIEE-UHFFFAOYSA-N 50147655 CHEMBL323945::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(3-methyl-piperidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147655&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11014956 104036117 CHEMBL323945 ZINC26991224 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271156 CC1CCCN1C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-11(18)15-19-14(20-22(15)8-10)12-4-5-13(17)24-12/h4-5,7-9H,2-3,6,18H2,1H3 ALQOAWMDMFFUJK-UHFFFAOYSA-N 50147654 CHEMBL114185::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147654&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10157187 104036116 CHEMBL114185 ZINC13974336 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271157 CC1CCCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-5-6-13(18)25-12/h5-6,8-10H,2-4,7,19H2,1H3 UUTFSDGTAMPVAL-UHFFFAOYSA-N 50147656 CHEMBL113967::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methyl-piperidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147656&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10294620 104036118 CHEMBL113967 ZINC26982744 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271158 Nc1cc(cc2nc(nn12)-c1ccccn1)C(=O)N1CCCC1 InChI=1S/C16H16N6O/c17-13-9-11(16(23)21-7-3-4-8-21)10-14-19-15(20-22(13)14)12-5-1-2-6-18-12/h1-2,5-6,9-10H,3-4,7-8,17H2 WFZSHHMNPNQKSR-UHFFFAOYSA-N 50147657 (5-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone::CHEMBL325646 Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147657&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 18677534 104036119 CHEMBL325646 ZINC26987507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271159 Nc1cc(cc2nc(nn12)-c1ccco1)C(=O)N1CCCC1 InChI=1S/C15H15N5O2/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2 FTURUMVBAPDIGU-UHFFFAOYSA-N 50147658 (5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone::CHEMBL109499 Adenosine receptor A2a Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9965998 104036120 CHEMBL109499 ZINC26977226 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271160 Nc1cc(cn2nc(nc12)-c1ccc(Br)o1)C(=O)N1CCCC1 InChI=1S/C15H14BrN5O2/c16-12-4-3-11(23-12)13-18-14-10(17)7-9(8-21(14)19-13)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2 UCJICYRCCGGBIG-UHFFFAOYSA-N 50147662 CHEMBL112195::[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147662&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10110033 104036124 CHEMBL112195 ZINC03991477 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271161 COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1 PETARVSUFSTELX-NSHDSACASA-N 50147663 CHEMBL320349::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-((S)-2-methoxymethyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147663&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10202273 104036125 CHEMBL320349 ZINC00603800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271162 Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCC1 InChI=1S/C16H17N5O2/c1-10-4-5-12(23-10)15-18-14-9-11(8-13(17)21(14)19-15)16(22)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,17H2,1H3 QVRSZXUDBPGDHB-UHFFFAOYSA-N 50147659 CHEMBL324591::[5-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147659&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 18677506 104036121 CHEMBL324591 ZINC26989685 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271163 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.800000 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271164 COC[C@H]1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m1/s1 PETARVSUFSTELX-LLVKDONJSA-N 50147665 CHEMBL112773::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-((R)-2-methoxymethyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147665&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10159082 104036127 CHEMBL112773 ZINC03976970 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271165 Cc1ccc(o1)-c1nc2cc(cc(N)n2n1)C(=O)N1CCCCC1 InChI=1S/C17H19N5O2/c1-11-5-6-13(24-11)16-19-15-10-12(9-14(18)22(15)20-16)17(23)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,18H2,1H3 ZZSHNMUQOGGYHD-UHFFFAOYSA-N 50147660 CHEMBL113228::[5-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147660&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 18677485 104036122 CHEMBL113228 ZINC26983386 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271166 Nc1cc(cn2nc(nc12)-c1ccco1)C(=O)N1CCCC1 InChI=1S/C15H15N5O2/c16-11-8-10(15(21)19-5-1-2-6-19)9-20-14(11)17-13(18-20)12-4-3-7-22-12/h3-4,7-9H,1-2,5-6,16H2 WREXZRPCJAVZSW-UHFFFAOYSA-N 50147666 (8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone::CHEMBL113412 Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147666&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9944058 104036128 CHEMBL113412 ZINC26984012 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271168 CC1CCCN1C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-13(18)22-14(8-10)19-15(20-22)11-4-5-12(17)24-11/h4-5,7-9H,2-3,6,18H2,1H3 YQRUTUAWBZXTFD-UHFFFAOYSA-N 50147669 CHEMBL110074::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methyl-pyrrolidin-1-yl)-methanone Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147669&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10200381 104036131 CHEMBL110074 ZINC26977029 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271169 Nc1cc(cc2nc(nn12)-c1ccc(Br)o1)C(=O)N1CCCC1 InChI=1S/C15H14BrN5O2/c16-11-4-3-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2 VVRYFSHYYXQKHO-UHFFFAOYSA-N 50147661 CHEMBL325350::[5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-yl-methanone Adenosine receptor A2a Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147661&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10270860 104036123 CHEMBL325350 ZINC26977011 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271170 CCN(CC)C(=O)C1CCCN(C1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(11-13)21(30)14-10-15(23)19-24-18(25-28(19)12-14)16-7-8-17(22)31-16/h7-8,10,12-13H,3-6,9,11,23H2,1-2H3 BQRGSPQJKCXBSD-UHFFFAOYSA-N 50147667 1-[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-piperidine-3-carboxylic acid diethylamide::CHEMBL112897 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147667&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10117199 104036129 CHEMBL112897 ZINC26983739 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271171 Nc1cc(cc2nc(nn12)-c1cccs1)C(=O)N1CCCC1 InChI=1S/C15H15N5OS/c16-12-8-10(15(21)19-5-1-2-6-19)9-13-17-14(18-20(12)13)11-4-3-7-22-11/h3-4,7-9H,1-2,5-6,16H2 PESDGYXYPRKHOS-UHFFFAOYSA-N 50147668 (5-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-pyrrolidin-1-yl-methanone::CHEMBL114405 Adenosine receptor A2a Homo sapiens 104 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147668&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 18677544 104036130 CHEMBL114405 ZINC26989744 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271172 CCCN(C)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C15H16BrN5O2/c1-3-6-20(2)15(22)9-7-12(17)21-13(8-9)18-14(19-21)10-4-5-11(16)23-10/h4-5,7-8H,3,6,17H2,1-2H3 FTVQJMKUEVCXGK-UHFFFAOYSA-N 50147670 5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid methyl-propyl-amide::CHEMBL110698 Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147670&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9969880 104036132 CHEMBL110698 ZINC26975518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271173 CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(nc2c1)-c1ccc(Br)o1 InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-17(22)27-18(12-13)24-19(25-27)15-6-7-16(21)29-15/h3-7,9,11-12H,2,8,10,22H2,1H3 RYWUMSBDUIMJQE-UHFFFAOYSA-N 50147672 5-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid ethyl-(2-pyridin-2-yl-ethyl)-amide::CHEMBL323621 Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10161370 104036134 CHEMBL323621 ZINC26980986 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271174 CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-15(22)19-23-18(24-26(19)12-14)16-7-8-17(21)28-16/h2-8,11-12H,9-10,22H2,1H3 VKKPJYXECVYOOR-UHFFFAOYSA-N 50147671 8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid methyl-phenethyl-amide::CHEMBL112740 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147671&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10225240 104036133 CHEMBL112740 ZINC26981968 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50271175 CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(nn2c1)-c1ccc(Br)o1 InChI=1S/C16H17BrN6O3/c1-21(2)13(24)8-22(3)16(25)9-6-10(18)15-19-14(20-23(15)7-9)11-4-5-12(17)26-11/h4-7H,8,18H2,1-3H3 YFJWZPSPCPVPFB-UHFFFAOYSA-N 50147664 8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid dimethylcarbamoylmethyl-methyl-amide::CHEMBL113541 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2004.03.104 10.7270/Q2VD6XWM 15149696 Guba, W; Nettekoven, M; Pullmann, B; Riemer, C; Schmitt, S F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50147664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50147664&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20620160 104036126 CHEMBL113541 ZINC03991482 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50267791 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3 FQUAFMNPXPXOJE-UHFFFAOYSA-N 50044849 CHEMBL3311308 Adenosine receptor A2a Homo sapiens <31623 ChEMBL 10.1016/j.bmcl.2014.05.012 10.7270/Q2CC1292 24881566 Sparks, SM; Chen, G; Collins, JL; Danger, D; Dock, ST; Jayawickreme, C; Jenkinson, S; Laudeman, C; Leesnitzer, MA; Liang, X; Maloney, P; McCoy, DC; Moncol, D; Rash, V; Rimele, T; Vulimiri, P; Way, JM; Ross, S GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50044849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50044849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 743974 103975962 46932 CHEMBL3311308 ZINC02522581 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272329 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)nc(nc12)C#Cc1ccccc1 InChI=1S/C27H25N5O4/c33-14-20-23(34)24(35)27(36-20)32-15-28-22-25(29-19-13-18(19)17-9-5-2-6-10-17)30-21(31-26(22)32)12-11-16-7-3-1-4-8-16/h1-10,15,18-20,23-24,27,33-35H,13-14H2,(H,29,30,31)/t18?,19?,20-,23-,24-,27-/m1/s1 ZUZUSCXGJHXEMB-WXAVEZDYSA-N 50047917 CHEMBL3311282 Adenosine receptor A2a Homo sapiens 2530 ChEMBL 10.1016/j.bmcl.2014.06.006 10.7270/Q2V40WVQ 24969016 Tosh, DK; Paoletta, S; Chen, Z; Moss, SM; Gao, ZG; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047917&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707149 103978481 CHEMBL3311282 ZINC13827935 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50272330 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 InChI=1S/C21H20N6O3/c1-23-20(30)21-9-12(21)15(16(28)17(21)29)27-10-24-14-18(22)25-13(26-19(14)27)8-7-11-5-3-2-4-6-11/h2-6,10,12,15-17,28-29H,9H2,1H3,(H,23,30)(H2,22,25,26)/t12-,15-,16+,17+,21+/m1/s1 KGGCZDIZKJMFPX-MXKWNSRKSA-N 50047918 CHEMBL3311284 Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2014.06.006 10.7270/Q2V40WVQ 24969016 Tosh, DK; Paoletta, S; Chen, Z; Moss, SM; Gao, ZG; Salvemini, D; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50047918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50047918&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118707151 103978482 CHEMBL3311284 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293930 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-19(13-11-18)36-16-21-28-24(31-37-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) HVVIGJWBRVNGNX-UHFFFAOYSA-N 50159979 1,3-Dipropyl-8-[4-(3-o-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181400 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159979 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159979&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390522 104046372 CHEMBL181400 ZINC28343912 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293931 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(F)c2)cc1 InChI=1S/C26H25FN6O4/c1-3-12-32-23-21(25(34)33(13-4-2)26(32)35)29-22(30-23)16-8-10-19(11-9-16)36-15-20-28-24(37-31-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) YUSPEUJNXAIUCW-UHFFFAOYSA-N 50159976 8-{4-[5-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL362374 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159976&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390669 104046369 CHEMBL362374 ZINC28334199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293936 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C#N)cc1 InChI=1S/C27H25N7O4/c1-3-13-33-25-22(26(35)34(14-4-2)27(33)36)30-23(31-25)18-9-11-20(12-10-18)37-16-21-29-24(32-38-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31) LHHFHCIWESVLMP-UHFFFAOYSA-N 50159980 4-{5-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl]-[1,2,4]oxadiazol-3-yl}-benzonitrile::CHEMBL434334 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159980&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390551 104046373 CHEMBL434334 ZINC28342967 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293938 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(C)c2)cc1 InChI=1S/C27H28N6O4/c1-4-13-32-25-22(26(34)33(14-5-2)27(32)35)29-23(30-25)18-9-11-20(12-10-18)36-16-21-28-24(31-37-21)19-8-6-7-17(3)15-19/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) RAYVCIZUKXEHDM-UHFFFAOYSA-N 50159982 1,3-Dipropyl-8-[4-(3-m-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181630 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159982&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390547 104046375 CHEMBL181630 ZINC28130285 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293939 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(c2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-12-35-24-21(25(37)36(13-4-2)26(35)38)32-22(33-24)16-8-10-19(11-9-16)39-15-20-31-23(34-40-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33) RRCWLVRYHSAAPF-UHFFFAOYSA-N 50159965 1,3-Dipropyl-8-{4-[3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL181067 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159965&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390571 104046358 CHEMBL181067 ZINC28334461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293947 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1 InChI=1S/C26H25FN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) HLXHEVMIMZKUPG-UHFFFAOYSA-N 50159962 8-{4-[3-(3-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL181468 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159962&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390527 104046355 CHEMBL181468 ZINC28335834 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293948 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2Cl)cc1 InChI=1S/C26H25ClN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-9-11-17(12-10-16)36-15-20-28-23(31-37-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) XCOCGDNIRZYJDL-UHFFFAOYSA-N 50159977 8-{4-[3-(2-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL179932 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159977&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390549 104046370 CHEMBL179932 ZINC28342947 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293954 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) AHJHSANRNGKAFS-UHFFFAOYSA-N 50159975 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180693 Adenosine receptor A2a Homo sapiens >200 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159975&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10196114 104046368 CHEMBL180693 ZINC06717057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293955 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-25-22(26(34)33(14-5-2)27(32)35)29-23(30-25)17-9-11-19(12-10-17)37-16-21-28-24(31-38-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) QILHXEYZDONICH-UHFFFAOYSA-N 50159983 8-{4-[3-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL263494 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159983&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10052252 104046376 CHEMBL263494 ZINC28137188 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293960 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(c2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-12-35-23-21(25(37)36(13-4-2)26(35)38)32-22(33-23)16-8-10-19(11-9-16)39-15-20-31-24(40-34-20)17-6-5-7-18(14-17)27(28,29)30/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,32,33) NANDHAUMIKXADP-UHFFFAOYSA-N 50159984 1,3-Dipropyl-8-{4-[5-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL360366 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159984&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390615 104046377 CHEMBL360366 ZINC28131629 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293962 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)17-10-12-18(13-11-17)37-16-21-28-24(31-38-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) FAJOBWITFHEMMP-UHFFFAOYSA-N 50159967 8-{4-[3-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL181005 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159967&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390583 104046360 CHEMBL181005 ZINC28333892 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293966 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1 InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31) HOUSHONDWSCQEU-UHFFFAOYSA-N 50159969 4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl]-[1,2,4]oxadiazol-5-yl}-benzonitrile::CHEMBL181925 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159969&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390651 104046362 CHEMBL181925 ZINC28333802 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293968 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293969 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) RZLNRVRBNKCEQR-UHFFFAOYSA-N 50159981 1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL183183 Adenosine receptor A2a Homo sapiens 3140 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159981&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390559 104046374 CHEMBL183183 ZINC28343420 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293972 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(Cl)c2)cc1 InChI=1S/C26H25ClN6O4/c1-3-12-32-23-21(25(34)33(13-4-2)26(32)35)29-22(30-23)16-8-10-19(11-9-16)36-15-20-28-24(37-31-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) NPHDEJSDZKQEKG-UHFFFAOYSA-N 50159973 8-{4-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180588 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159973&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390587 104046366 CHEMBL180588 ZINC28332806 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293973 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens >260 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293974 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) JNJWKLSCJORTLT-UHFFFAOYSA-N 50159970 8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL361826 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159970&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10311510 104046363 CHEMBL361826 ZINC28130291 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293980 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(OC)cc2)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)17-8-12-20(13-9-17)37-16-21-28-24(31-38-21)18-6-10-19(36-3)11-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) WWNFTWQWDJRMQD-UHFFFAOYSA-N 50159963 8-{4-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL182259 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159963&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390444 104046356 CHEMBL182259 ZINC28331562 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292904 CCCN(CCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C24H29N9O2/c1-2-11-32(13-9-16-6-3-7-18-17(16)15-20(34)27-18)12-5-10-26-23-29-22(25)33-24(30-23)28-21(31-33)19-8-4-14-35-19/h3-4,6-8,14H,2,5,9-13,15H2,1H3,(H,27,34)(H3,25,26,28,29,30,31) LPQJVVVCQKYAIY-UHFFFAOYSA-N 50059835 CHEMBL3394265 Adenosine receptor A2a Homo sapiens 912 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059835&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726010 103955614 CHEMBL3394265 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292905 CN(CCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C22H25N9O2/c1-30(11-8-14-5-2-6-16-15(14)13-18(32)25-16)10-4-9-24-21-27-20(23)31-22(28-21)26-19(29-31)17-7-3-12-33-17/h2-3,5-7,12H,4,8-11,13H2,1H3,(H,25,32)(H3,23,24,26,27,28,29) MAEZWZVKVYVMBK-UHFFFAOYSA-N 50059836 CHEMBL3394264 Adenosine receptor A2a Homo sapiens 1122 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726009 103955615 CHEMBL3394264 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292906 CCCN(CCc1cccc2NC(=O)Cc12)c1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C21H22N8O2/c1-2-9-28(10-8-13-5-3-6-15-14(13)12-17(30)23-15)20-25-19(22)29-21(26-20)24-18(27-29)16-7-4-11-31-16/h3-7,11H,2,8-10,12H2,1H3,(H,23,30)(H2,22,24,25,26,27) HRQIGVUXFBMXTF-UHFFFAOYSA-N 50059840 CHEMBL3394263 Adenosine receptor A2a Homo sapiens 32 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726008 103955619 CHEMBL3394263 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292907 OC=O.CCCN(CCCNc1nc(Oc2ccc(CCNc3nc(N)n4nc(nc4n3)-c3ccco3)cc2)nc(n1)N1CCOCC1)CCc1cccc2NC(=O)Cc12 InChI=1S/C39H46N14O4.CH2O2/c1-2-17-51(19-14-27-6-3-7-30-29(27)25-32(54)43-30)18-5-15-41-36-46-37(52-20-23-55-24-21-52)49-39(48-36)57-28-11-9-26(10-12-28)13-16-42-35-45-34(40)53-38(47-35)44-33(50-53)31-8-4-22-56-31;2-1-3/h3-4,6-12,22H,2,5,13-21,23-25H2,1H3,(H,43,54)(H,41,46,48,49)(H3,40,42,44,45,47,50);1H,(H,2,3) AAPKSMKRZNHCHJ-UHFFFAOYSA-N 50059848 CHEMBL3394262 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059848&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726006 103955627 CHEMBL3394262 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292908 Nc1nc(NCCc2ccc(Oc3nc(Cl)nc(n3)N3CCOCC3)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H22ClN11O3/c24-18-28-21(34-9-12-36-13-10-34)32-23(29-18)38-15-5-3-14(4-6-15)7-8-26-20-30-19(25)35-22(31-20)27-17(33-35)16-2-1-11-37-16/h1-6,11H,7-10,12-13H2,(H3,25,26,27,30,31,33) OSRFFVKRRIWPDV-UHFFFAOYSA-N 50059853 CHEMBL3394261 Adenosine receptor A2a Homo sapiens 135 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059853&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726005 103955632 CHEMBL3394261 ZINC26636835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292909 COC(=O)CCCCCCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 InChI=1S/C33H46N8O5/c1-44-29(43)15-9-7-5-3-2-4-6-8-10-21-35-28(42)14-12-23-45-26-18-16-25(17-19-26)20-22-36-32-38-31(34)41-33(39-32)37-30(40-41)27-13-11-24-46-27/h11,13,16-19,24H,2-10,12,14-15,20-23H2,1H3,(H,35,42)(H3,34,36,37,38,39,40) PNJGSZCARKYFRC-UHFFFAOYSA-N 50059872 CHEMBL3394260 Adenosine receptor A2a Homo sapiens 437 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059872&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726004 313070583 CHEMBL3394260 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292910 CCC[NH+](CCCNC(=O)CCCCCCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C48H67N11O5/c1-2-30-58(32-26-37-16-12-17-40-39(37)35-44(62)53-40)31-15-28-51-42(60)19-10-8-6-4-3-5-7-9-11-27-50-43(61)20-14-33-63-38-23-21-36(22-24-38)25-29-52-47-55-46(49)59-48(56-47)54-45(57-59)41-18-13-34-64-41/h12-13,16-18,21-24,34H,2-11,14-15,19-20,25-33,35H2,1H3,(H,50,61)(H,51,60)(H,53,62)(H3,49,52,54,55,56,57)/p+1 GROZZUKSJCZXGR-UHFFFAOYSA-O 50059882 CHEMBL3394259 Adenosine receptor A2a Homo sapiens 1072 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059882&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118987798 313070584 CHEMBL3394259 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292911 CCCN(CCCNC(=O)CCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C44H59N11O5/c1-2-26-54(28-22-33-12-8-13-36-35(33)31-40(58)49-36)27-11-24-47-38(56)15-6-4-3-5-7-23-46-39(57)16-10-29-59-34-19-17-32(18-20-34)21-25-48-43-51-42(45)55-44(52-43)50-41(53-55)37-14-9-30-60-37/h8-9,12-14,17-20,30H,2-7,10-11,15-16,21-29,31H2,1H3,(H,46,57)(H,47,56)(H,49,58)(H3,45,48,50,51,52,53) GRNZJJOLZMFJHZ-UHFFFAOYSA-N 50059883 CHEMBL3394258 Adenosine receptor A2a Homo sapiens 41 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059883&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726001 313070585 CHEMBL3394258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292912 CCCN(CCCNC(=O)CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C40H51N11O5/c1-2-22-50(24-18-29-8-3-9-32-31(29)27-36(54)45-32)23-7-20-43-34(52)11-4-19-42-35(53)12-6-25-55-30-15-13-28(14-16-30)17-21-44-39-47-38(41)51-40(48-39)46-37(49-51)33-10-5-26-56-33/h3,5,8-10,13-16,26H,2,4,6-7,11-12,17-25,27H2,1H3,(H,42,53)(H,43,52)(H,45,54)(H3,41,44,46,47,48,49) QXKURYVTBSPJPI-UHFFFAOYSA-N 50059884 CHEMBL3394257 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059884&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726000 312810997 CHEMBL3394257 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292913 [O-]C(=O)C(F)(F)F.CCC[NH+](CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C36H44N10O4.C2HF3O2/c1-2-19-45(21-16-26-7-3-8-29-28(26)24-32(48)40-29)20-6-17-38-31(47)10-5-22-49-27-13-11-25(12-14-27)15-18-39-35-42-34(37)46-36(43-35)41-33(44-46)30-9-4-23-50-30;3-2(4,5)1(6)7/h3-4,7-9,11-14,23H,2,5-6,10,15-22,24H2,1H3,(H,38,47)(H,40,48)(H3,37,39,41,42,43,44);(H,6,7) ZMHBCACAUUQMKS-UHFFFAOYSA-N 50059885 CHEMBL3394256 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059885&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725998 103955660 CHEMBL3394256 ZINC13606274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292914 CCCN(CCCNC(=O)COc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C34H40N10O4/c1-2-17-43(19-14-24-6-3-7-27-26(24)21-29(45)38-27)18-5-15-36-30(46)22-48-25-11-9-23(10-12-25)13-16-37-33-40-32(35)44-34(41-33)39-31(42-44)28-8-4-20-47-28/h3-4,6-12,20H,2,5,13-19,21-22H2,1H3,(H,36,46)(H,38,45)(H3,35,37,39,40,41,42) GMHBQXBXDPKIOX-UHFFFAOYSA-N 50059886 CHEMBL3394255 Adenosine receptor A2a Homo sapiens 63 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059886&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725997 103955661 CHEMBL3394255 ZINC13606269 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292915 CCCN(CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2NC(=O)Cc12 InChI=1S/C33H56N4O4/c1-5-23-37(25-20-27-17-15-18-29-28(27)26-31(39)36-29)24-16-22-34-30(38)19-13-11-9-7-6-8-10-12-14-21-35-32(40)41-33(2,3)4/h15,17-18H,5-14,16,19-26H2,1-4H3,(H,34,38)(H,35,40)(H,36,39) WCZVRYOCPPENFW-UHFFFAOYSA-N 50059795 CHEMBL3394254 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059795&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725996 103955576 CHEMBL3394254 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292916 CCCN(CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C37H44N10O5/c1-2-20-46(22-17-26-7-3-8-29-28(26)24-32(49)41-29)21-6-18-39-31(48)10-4-11-33(50)52-27-14-12-25(13-15-27)16-19-40-36-43-35(38)47-37(44-36)42-34(45-47)30-9-5-23-51-30/h3,5,7-9,12-15,23H,2,4,6,10-11,16-22,24H2,1H3,(H,39,48)(H,41,49)(H3,38,40,42,43,44,45) MCVRJCMPRFQPOR-UHFFFAOYSA-N 50059796 CHEMBL3394253 Adenosine receptor A2a Homo sapiens 35 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059796&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725995 103955577 CHEMBL3394253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292917 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292918 [O-]C(=O)C(F)(F)F.Nc1nc(nc2nc(nn12)-c1ccco1)N1CCC[NH+](CCc2cccc3NC(=O)Cc23)CC1 InChI=1S/C23H25N9O2.C2HF3O2/c24-21-27-22(28-23-26-20(29-32(21)23)18-6-2-13-34-18)31-9-3-8-30(11-12-31)10-7-15-4-1-5-17-16(15)14-19(33)25-17;3-2(4,5)1(6)7/h1-2,4-6,13H,3,7-12,14H2,(H,25,33)(H2,24,26,27,28,29);(H,6,7) BXIJNKUYMAREGF-UHFFFAOYSA-N 50059798 CHEMBL3394277 Adenosine receptor A2a Homo sapiens 1479 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726022 103955579 CHEMBL3394277 ZINC13765188 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292919 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2cccc3NC(=O)Cc23)CC1 InChI=1S/C22H23N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-5-2-12-33-17)30-10-8-29(9-11-30)7-6-14-3-1-4-16-15(14)13-18(32)24-16/h1-5,12H,6-11,13H2,(H,24,32)(H2,23,25,26,27,28) BXPBFDBSJYZGDU-UHFFFAOYSA-N 50059799 CHEMBL3394276 Adenosine receptor A2a Homo sapiens 59 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059799&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726021 103955580 CHEMBL3394276 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292920 Nc1nc(NC2CCN(CCc3cccc4NC(=O)Cc34)CC2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H25N9O2/c24-21-28-22(29-23-27-20(30-32(21)23)18-5-2-12-34-18)25-15-7-10-31(11-8-15)9-6-14-3-1-4-17-16(14)13-19(33)26-17/h1-5,12,15H,6-11,13H2,(H,26,33)(H3,24,25,27,28,29,30) ZOWFSAKWXNDEGI-UHFFFAOYSA-N 50059806 CHEMBL3394271 Adenosine receptor A2a Homo sapiens 1514 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059806&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726016 103955587 CHEMBL3394271 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292921 Nc1nc(NC2CCNCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C13H16N8O/c14-11-18-12(16-8-3-5-15-6-4-8)19-13-17-10(20-21(11)13)9-2-1-7-22-9/h1-2,7-8,15H,3-6H2,(H3,14,16,17,18,19,20) ZHZBACGOIFOANT-UHFFFAOYSA-N 50059887 CHEMBL3394268 Adenosine receptor A2a Homo sapiens 8511 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059887&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726013 103955662 CHEMBL3394268 ZINC13606272 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292922 CC(C)(C)OC(=O)N1CCC(CC1)Nc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H24N8O3/c1-18(2,3)29-17(27)25-8-6-11(7-9-25)20-15-22-14(19)26-16(23-15)21-13(24-26)12-5-4-10-28-12/h4-5,10-11H,6-9H2,1-3H3,(H3,19,20,21,22,23,24) KQOARTFWPWTKKH-UHFFFAOYSA-N 50059888 CHEMBL3394267 Adenosine receptor A2a Homo sapiens 1738 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059888&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726012 103955663 CHEMBL3394267 ZINC13606271 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292923 CCCN(CCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C27H35N9O2/c1-2-14-35(16-12-19-9-7-10-21-20(19)18-23(37)30-21)15-6-4-3-5-13-29-26-32-25(28)36-27(33-26)31-24(34-36)22-11-8-17-38-22/h7-11,17H,2-6,12-16,18H2,1H3,(H,30,37)(H3,28,29,31,32,33,34) BICAEYYDSQRCOQ-UHFFFAOYSA-N 50059809 CHEMBL3394266 Adenosine receptor A2a Homo sapiens 1778 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726011 313070582 CHEMBL3394266 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292924 CCCN(CCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C24H29N9O2/c1-2-11-32(13-9-16-6-3-7-18-17(16)15-20(34)27-18)12-5-10-26-23-29-22(25)33-24(30-23)28-21(31-33)19-8-4-14-35-19/h3-4,6-8,14H,2,5,9-13,15H2,1H3,(H,27,34)(H3,25,26,28,29,30,31) LPQJVVVCQKYAIY-UHFFFAOYSA-N 50059835 CHEMBL3394265 Adenosine receptor A2a Homo sapiens 912 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059835&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726010 103955614 CHEMBL3394265 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292925 CN(CCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C22H25N9O2/c1-30(11-8-14-5-2-6-16-15(14)13-18(32)25-16)10-4-9-24-21-27-20(23)31-22(28-21)26-19(29-31)17-7-3-12-33-17/h2-3,5-7,12H,4,8-11,13H2,1H3,(H,25,32)(H3,23,24,26,27,28,29) MAEZWZVKVYVMBK-UHFFFAOYSA-N 50059836 CHEMBL3394264 Adenosine receptor A2a Homo sapiens 1122 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726009 103955615 CHEMBL3394264 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292926 CCCN(CCc1cccc2NC(=O)Cc12)c1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C21H22N8O2/c1-2-9-28(10-8-13-5-3-6-15-14(13)12-17(30)23-15)20-25-19(22)29-21(26-20)24-18(27-29)16-7-4-11-31-16/h3-7,11H,2,8-10,12H2,1H3,(H,23,30)(H2,22,24,25,26,27) HRQIGVUXFBMXTF-UHFFFAOYSA-N 50059840 CHEMBL3394263 Adenosine receptor A2a Homo sapiens 32 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726008 103955619 CHEMBL3394263 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292927 OC=O.CCCN(CCCNc1nc(Oc2ccc(CCNc3nc(N)n4nc(nc4n3)-c3ccco3)cc2)nc(n1)N1CCOCC1)CCc1cccc2NC(=O)Cc12 InChI=1S/C39H46N14O4.CH2O2/c1-2-17-51(19-14-27-6-3-7-30-29(27)25-32(54)43-30)18-5-15-41-36-46-37(52-20-23-55-24-21-52)49-39(48-36)57-28-11-9-26(10-12-28)13-16-42-35-45-34(40)53-38(47-35)44-33(50-53)31-8-4-22-56-31;2-1-3/h3-4,6-12,22H,2,5,13-21,23-25H2,1H3,(H,43,54)(H,41,46,48,49)(H3,40,42,44,45,47,50);1H,(H,2,3) AAPKSMKRZNHCHJ-UHFFFAOYSA-N 50059848 CHEMBL3394262 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059848&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726006 103955627 CHEMBL3394262 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292928 Nc1nc(NCCc2ccc(Oc3nc(Cl)nc(n3)N3CCOCC3)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H22ClN11O3/c24-18-28-21(34-9-12-36-13-10-34)32-23(29-18)38-15-5-3-14(4-6-15)7-8-26-20-30-19(25)35-22(31-20)27-17(33-35)16-2-1-11-37-16/h1-6,11H,7-10,12-13H2,(H3,25,26,27,30,31,33) OSRFFVKRRIWPDV-UHFFFAOYSA-N 50059853 CHEMBL3394261 Adenosine receptor A2a Homo sapiens 135 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059853&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726005 103955632 CHEMBL3394261 ZINC26636835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292929 COC(=O)CCCCCCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1 InChI=1S/C33H46N8O5/c1-44-29(43)15-9-7-5-3-2-4-6-8-10-21-35-28(42)14-12-23-45-26-18-16-25(17-19-26)20-22-36-32-38-31(34)41-33(39-32)37-30(40-41)27-13-11-24-46-27/h11,13,16-19,24H,2-10,12,14-15,20-23H2,1H3,(H,35,42)(H3,34,36,37,38,39,40) PNJGSZCARKYFRC-UHFFFAOYSA-N 50059872 CHEMBL3394260 Adenosine receptor A2a Homo sapiens 437 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059872&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726004 313070583 CHEMBL3394260 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292930 CCC[NH+](CCCNC(=O)CCCCCCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C48H67N11O5/c1-2-30-58(32-26-37-16-12-17-40-39(37)35-44(62)53-40)31-15-28-51-42(60)19-10-8-6-4-3-5-7-9-11-27-50-43(61)20-14-33-63-38-23-21-36(22-24-38)25-29-52-47-55-46(49)59-48(56-47)54-45(57-59)41-18-13-34-64-41/h12-13,16-18,21-24,34H,2-11,14-15,19-20,25-33,35H2,1H3,(H,50,61)(H,51,60)(H,53,62)(H3,49,52,54,55,56,57)/p+1 GROZZUKSJCZXGR-UHFFFAOYSA-O 50059882 CHEMBL3394259 Adenosine receptor A2a Homo sapiens 1072 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059882&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118987798 313070584 CHEMBL3394259 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292931 CCCN(CCCNC(=O)CCCCCCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C44H59N11O5/c1-2-26-54(28-22-33-12-8-13-36-35(33)31-40(58)49-36)27-11-24-47-38(56)15-6-4-3-5-7-23-46-39(57)16-10-29-59-34-19-17-32(18-20-34)21-25-48-43-51-42(45)55-44(52-43)50-41(53-55)37-14-9-30-60-37/h8-9,12-14,17-20,30H,2-7,10-11,15-16,21-29,31H2,1H3,(H,46,57)(H,47,56)(H,49,58)(H3,45,48,50,51,52,53) GRNZJJOLZMFJHZ-UHFFFAOYSA-N 50059883 CHEMBL3394258 Adenosine receptor A2a Homo sapiens 41 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059883&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726001 313070585 CHEMBL3394258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292932 CCCN(CCCNC(=O)CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C40H51N11O5/c1-2-22-50(24-18-29-8-3-9-32-31(29)27-36(54)45-32)23-7-20-43-34(52)11-4-19-42-35(53)12-6-25-55-30-15-13-28(14-16-30)17-21-44-39-47-38(41)51-40(48-39)46-37(49-51)33-10-5-26-56-33/h3,5,8-10,13-16,26H,2,4,6-7,11-12,17-25,27H2,1H3,(H,42,53)(H,43,52)(H,45,54)(H3,41,44,46,47,48,49) QXKURYVTBSPJPI-UHFFFAOYSA-N 50059884 CHEMBL3394257 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059884&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726000 312810997 CHEMBL3394257 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292933 [O-]C(=O)C(F)(F)F.CCC[NH+](CCCNC(=O)CCCOc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C36H44N10O4.C2HF3O2/c1-2-19-45(21-16-26-7-3-8-29-28(26)24-32(48)40-29)20-6-17-38-31(47)10-5-22-49-27-13-11-25(12-14-27)15-18-39-35-42-34(37)46-36(43-35)41-33(44-46)30-9-4-23-50-30;3-2(4,5)1(6)7/h3-4,7-9,11-14,23H,2,5-6,10,15-22,24H2,1H3,(H,38,47)(H,40,48)(H3,37,39,41,42,43,44);(H,6,7) ZMHBCACAUUQMKS-UHFFFAOYSA-N 50059885 CHEMBL3394256 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059885&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725998 103955660 CHEMBL3394256 ZINC13606274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292934 CCCN(CCCNC(=O)COc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C34H40N10O4/c1-2-17-43(19-14-24-6-3-7-27-26(24)21-29(45)38-27)18-5-15-36-30(46)22-48-25-11-9-23(10-12-25)13-16-37-33-40-32(35)44-34(41-33)39-31(42-44)28-8-4-20-47-28/h3-4,6-12,20H,2,5,13-19,21-22H2,1H3,(H,36,46)(H,38,45)(H3,35,37,39,40,41,42) GMHBQXBXDPKIOX-UHFFFAOYSA-N 50059886 CHEMBL3394255 Adenosine receptor A2a Homo sapiens 63 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059886&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725997 103955661 CHEMBL3394255 ZINC13606269 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292935 CCCN(CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2NC(=O)Cc12 InChI=1S/C33H56N4O4/c1-5-23-37(25-20-27-17-15-18-29-28(27)26-31(39)36-29)24-16-22-34-30(38)19-13-11-9-7-6-8-10-12-14-21-35-32(40)41-33(2,3)4/h15,17-18H,5-14,16,19-26H2,1-4H3,(H,34,38)(H,35,40)(H,36,39) WCZVRYOCPPENFW-UHFFFAOYSA-N 50059795 CHEMBL3394254 Adenosine receptor A2a Homo sapiens <100000 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059795&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725996 103955576 CHEMBL3394254 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292936 CCCN(CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc(N)n3nc(nc3n2)-c2ccco2)cc1)CCc1cccc2NC(=O)Cc12 InChI=1S/C37H44N10O5/c1-2-20-46(22-17-26-7-3-8-29-28(26)24-32(49)41-29)21-6-18-39-31(48)10-4-11-33(50)52-27-14-12-25(13-15-27)16-19-40-36-43-35(38)47-37(44-36)42-34(45-47)30-9-5-23-51-30/h3,5,7-9,12-15,23H,2,4,6,10-11,16-22,24H2,1H3,(H,39,48)(H,41,49)(H3,38,40,42,43,44,45) MCVRJCMPRFQPOR-UHFFFAOYSA-N 50059796 CHEMBL3394253 Adenosine receptor A2a Homo sapiens 35 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059796&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118725995 103955577 CHEMBL3394253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292937 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289512 O=C(Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1)C1CC1 InChI=1S/C20H17N3O/c24-19(16-11-12-16)23-20-21-17(14-7-3-1-4-8-14)13-18(22-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24) HMOYOBUDEWMPCL-UHFFFAOYSA-N 50157653 CHEMBL224835::cyclopropane carboxylic acid (4,6-diphenylpyrimidin-2-yl)amide Adenosine receptor A2a Homo sapiens 228 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157653&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11290020 104044576 CHEMBL224835 ZINC13586475 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289519 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1 InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26) JIIIIMMXDNQSGZ-UHFFFAOYSA-N 50157657 CHEMBL375631::cyclopentanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A2a Homo sapiens 196 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157657&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11462033 104044580 CHEMBL375631 ZINC06716090 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285132 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A2a Homo sapiens 246 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285133 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A2a Homo sapiens 325 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285134 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285135 Nc1ncnc2cn(nc12)-c1ccccc1 InChI=1S/C11H9N5/c12-11-10-9(13-7-14-11)6-16(15-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14) COEIPYGQWWKYSZ-UHFFFAOYSA-N 50055082 CHEMBL3317555 Adenosine receptor A2a Homo sapiens 410 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055082&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708214 313069856 CHEMBL3317555 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285146 COc1ccccc1Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C19H17N5O/c1-25-16-10-6-5-7-13(16)11-17-21-15-12-24(14-8-3-2-4-9-14)23-18(15)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22) OYGJIKRTCDDVRM-UHFFFAOYSA-N 50055085 CHEMBL3317560 Adenosine receptor A2a Homo sapiens 213 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055085&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708219 313069859 CHEMBL3317560 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285147 Nc1nc(Cc2ccccc2F)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H14FN5/c19-14-9-5-4-6-12(14)10-16-21-15-11-24(13-7-2-1-3-8-13)23-17(15)18(20)22-16/h1-9,11H,10H2,(H2,20,21,22) RGBNONBGSOJVQN-UHFFFAOYSA-N 50055087 CHEMBL3317565 Adenosine receptor A2a Homo sapiens 154 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055087&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708225 313069861 CHEMBL3317565 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285148 Nc1nc(Cc2ccccc2O)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5O/c19-18-17-14(11-23(22-17)13-7-2-1-3-8-13)20-16(21-18)10-12-6-4-5-9-15(12)24/h1-9,11,24H,10H2,(H2,19,20,21) ZWUYFHCLRNNJEI-UHFFFAOYSA-N 50055089 CHEMBL3317554 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055089&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708213 313069863 CHEMBL3317554 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285149 Nc1nc(Cc2cccc(O)c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5O/c19-18-17-15(11-23(22-17)13-6-2-1-3-7-13)20-16(21-18)10-12-5-4-8-14(24)9-12/h1-9,11,24H,10H2,(H2,19,20,21) HBCWGZIBWZBFED-UHFFFAOYSA-N 50055090 CHEMBL3317568 Adenosine receptor A2a Homo sapiens 521 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708228 313069864 CHEMBL3317568 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285150 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285151 COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24) PPZARYOCIWUJNS-UHFFFAOYSA-N 50055095 CHEMBL3317575 Adenosine receptor A2a Homo sapiens 153 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055095&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708235 313069869 CHEMBL3317575 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285152 COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1 InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24) ZCPXGQGRCJYMLF-UHFFFAOYSA-N 50055096 CHEMBL3317576 Adenosine receptor A2a Homo sapiens 147 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055096&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708236 313069870 CHEMBL3317576 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285153 COc1ccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1 InChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24) JVYZZVMFKUDDFA-UHFFFAOYSA-N 50055097 CHEMBL3317577 Adenosine receptor A2a Homo sapiens 790 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055097&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708237 313069871 CHEMBL3317577 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285154 Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-16(13-25(24-19)15-9-2-1-3-10-15)22-18(23-20)12-6-8-14-7-4-5-11-17(14)26/h1-5,7,9-11,13,26H,6,8,12H2,(H2,21,22,23) BKWRHOCWDPOKTI-UHFFFAOYSA-N 50055098 CHEMBL3317578 Adenosine receptor A2a Homo sapiens 102 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055098&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708238 313069872 CHEMBL3317578 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285155 Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23) SHQKGVUFKLDRQI-UHFFFAOYSA-N 50055099 CHEMBL3317579 Adenosine receptor A2a Homo sapiens 146 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708239 313069873 CHEMBL3317579 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285156 Nc1nc(CCCc2ccc(O)cc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-6-2-1-3-7-15)22-18(23-20)8-4-5-14-9-11-16(26)12-10-14/h1-3,6-7,9-13,26H,4-5,8H2,(H2,21,22,23) OOMFSONRFBINNP-UHFFFAOYSA-N 50055100 CHEMBL3317580 Adenosine receptor A2a Homo sapiens 722 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055100&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708240 313069874 CHEMBL3317580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50285165 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A2a Homo sapiens 423 ChEMBL 10.1016/j.ejmech.2014.07.060 10.7270/Q2BG2QNH 25063944 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Borea, PA; Porta, N; Ciancetta, A; Moro, S Universit£ di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289527 CCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)22-19-20-16(14-9-5-3-6-10-14)13-17(21-19)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) AZXIPRTZIQWIHR-UHFFFAOYSA-N 50157663 CHEMBL222718::N-(4,6-diphenylpyrimidin-2-yl)propionamide Adenosine receptor A2a Homo sapiens 893 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157663&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11278089 104044586 CHEMBL222718 ZINC13586469 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289528 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1 InChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27) IBKAQSVTVQTIDD-UHFFFAOYSA-N 50157664 CHEMBL222496::cyclohexanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A2a Homo sapiens 208 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157664&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11348867 104044587 CHEMBL222496 ZINC13586461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289529 CC(C)CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25) LUPWFOJGRCESTC-UHFFFAOYSA-N 50157665 CHEMBL387322::N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide Adenosine receptor A2a Homo sapiens 157 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157665&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11739042 104044588 CHEMBL387322 ZINC13586455 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289539 CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-14(2)20(24)23-18-13-17(15-9-5-3-6-10-15)21-19(22-18)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24) ONJOWWUQGQUDTK-UHFFFAOYSA-N 50157658 CHEMBL222433::N-(2,6-diphenylpyrimidin-4-yl)isobutyramide Adenosine receptor A2a Homo sapiens 376 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11313151 104044581 CHEMBL222433 ZINC13586454 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289544 CC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H15N3O/c1-13(22)19-17-12-16(14-8-4-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,20,21,22) ZFBASLSZDCISGS-UHFFFAOYSA-N 50157676 CHEMBL426565::N-(2,6-diphenylpyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 489 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157676&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11185362 104044599 CHEMBL426565 ZINC13586450 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289547 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CC1 InChI=1S/C20H17N3O/c24-20(16-11-12-16)23-18-13-17(14-7-3-1-4-8-14)21-19(22-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,21,22,23,24) UOAGLWXCVMDEEN-UHFFFAOYSA-N 50157662 CHEMBL388113::cyclopropanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A2a Homo sapiens 189 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157662&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11461202 104044585 CHEMBL388113 ZINC13586459 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289548 CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25) OWPSSUJQRJLQHE-UHFFFAOYSA-N 50157656 CHEMBL223977::LUF-5767::N-(2,6-diphenylpyrimidin-4-yl)-2-methylbutyramide Adenosine receptor A2a Homo sapiens 899 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157656&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11427528 104044579 CHEMBL223977 ZINC13586457 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289550 CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23) GFLZXPLJINFGKI-UHFFFAOYSA-N 50157672 CHEMBL222474::N-(2,6-diphenylpyrimidin-4-yl)propionamide Adenosine receptor A2a Homo sapiens 82 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11438116 104044595 CHEMBL222474 ZINC13586451 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289556 CCCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H19N3O/c1-2-9-19(24)22-18-14-17(15-10-5-3-6-11-15)21-20(23-18)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24) UBJLQDSZSYHXLE-UHFFFAOYSA-N 50157659 CHEMBL222384::N-(2,6-diphenylpyrimidin-4-yl)butyramide Adenosine receptor A2a Homo sapiens 124 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157659&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11359018 104044582 CHEMBL222384 ZINC13586452 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289557 O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1 InChI=1S/C21H19N3O/c25-21(17-12-7-13-17)24-19-14-18(15-8-3-1-4-9-15)22-20(23-19)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2,(H,22,23,24,25) YWUOMRGHKANFJN-UHFFFAOYSA-N 50157666 CHEMBL223978::cyclobutanecarboxylic acid (2,6-diphenylpyrimidin-4-yl)amide Adenosine receptor A2a Homo sapiens 179 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157666&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11244376 104044589 CHEMBL223978 ZINC13586460 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50289569 CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26) ZMYSFVQFZFGCMP-UHFFFAOYSA-N 50157671 CHEMBL390535::N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide Adenosine receptor A2a Homo sapiens 381 ChEMBL 10.1021/jm049448r 10.7270/Q2DN44J7 15588088 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; van den Hout, G; Beukers, MW; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50157671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50157671&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11371386 104044594 CHEMBL390535 ZINC13586456 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292654 [O-]C(=O)C(F)(F)F.Nc1nc(nc2nc(nn12)-c1ccco1)N1CCC[NH+](CCc2cccc3NC(=O)Cc23)CC1 InChI=1S/C23H25N9O2.C2HF3O2/c24-21-27-22(28-23-26-20(29-32(21)23)18-6-2-13-34-18)31-9-3-8-30(11-12-31)10-7-15-4-1-5-17-16(15)14-19(33)25-17;3-2(4,5)1(6)7/h1-2,4-6,13H,3,7-12,14H2,(H,25,33)(H2,24,26,27,28,29);(H,6,7) BXIJNKUYMAREGF-UHFFFAOYSA-N 50059798 CHEMBL3394277 Adenosine receptor A2a Homo sapiens 1479 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726022 103955579 CHEMBL3394277 ZINC13765188 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292655 Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(CCc2cccc3NC(=O)Cc23)CC1 InChI=1S/C22H23N9O2/c23-20-26-21(27-22-25-19(28-31(20)22)17-5-2-12-33-17)30-10-8-29(9-11-30)7-6-14-3-1-4-16-15(14)13-18(32)24-16/h1-5,12H,6-11,13H2,(H,24,32)(H2,23,25,26,27,28) BXPBFDBSJYZGDU-UHFFFAOYSA-N 50059799 CHEMBL3394276 Adenosine receptor A2a Homo sapiens 59 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059799&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726021 103955580 CHEMBL3394276 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292656 Nc1nc(NC2CCN(CCc3cccc4NC(=O)Cc34)CC2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H25N9O2/c24-21-28-22(29-23-27-20(30-32(21)23)18-5-2-12-34-18)25-15-7-10-31(11-8-15)9-6-14-3-1-4-17-16(14)13-19(33)26-17/h1-5,12,15H,6-11,13H2,(H,26,33)(H3,24,25,27,28,29,30) ZOWFSAKWXNDEGI-UHFFFAOYSA-N 50059806 CHEMBL3394271 Adenosine receptor A2a Homo sapiens 1514 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059806&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726016 103955587 CHEMBL3394271 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292657 Nc1nc(NC2CCNCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C13H16N8O/c14-11-18-12(16-8-3-5-15-6-4-8)19-13-17-10(20-21(11)13)9-2-1-7-22-9/h1-2,7-8,15H,3-6H2,(H3,14,16,17,18,19,20) ZHZBACGOIFOANT-UHFFFAOYSA-N 50059887 CHEMBL3394268 Adenosine receptor A2a Homo sapiens 8511 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059887&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726013 103955662 CHEMBL3394268 ZINC13606272 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292658 CC(C)(C)OC(=O)N1CCC(CC1)Nc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H24N8O3/c1-18(2,3)29-17(27)25-8-6-11(7-9-25)20-15-22-14(19)26-16(23-15)21-13(24-26)12-5-4-10-28-12/h4-5,10-11H,6-9H2,1-3H3,(H3,19,20,21,22,23,24) KQOARTFWPWTKKH-UHFFFAOYSA-N 50059888 CHEMBL3394267 Adenosine receptor A2a Homo sapiens 1738 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059888&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726012 103955663 CHEMBL3394267 ZINC13606271 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50292659 CCCN(CCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1)CCc1cccc2NC(=O)Cc12 InChI=1S/C27H35N9O2/c1-2-14-35(16-12-19-9-7-10-21-20(19)18-23(37)30-21)15-6-4-3-5-13-29-26-32-25(28)36-27(33-26)31-24(34-36)22-11-8-17-38-22/h7-11,17H,2-6,12-16,18H2,1H3,(H,30,37)(H3,28,29,31,32,33,34) BICAEYYDSQRCOQ-UHFFFAOYSA-N 50059809 CHEMBL3394266 Adenosine receptor A2a Homo sapiens 1778 ChEMBL 10.1021/jm501254d 10.7270/Q2N87CGR 25490054 Jörg, M; May, LT; Mak, FS; Lee, KC; Miller, ND; Scammells, PJ; Capuano, B Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50059809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50059809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118726011 313070582 CHEMBL3394266 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293882 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1 InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30) UIFULPIWDUCSCB-UHFFFAOYSA-N 50159960 8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL368442 Adenosine receptor A2a Homo sapiens 407 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159960&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958526 104046353 CHEMBL368442 ZINC28342455 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293883 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-7-11-19(12-8-16)39-15-20-31-23(34-40-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) KMXQQWMQGPWGFW-UHFFFAOYSA-N 50159958 1,3-Dipropyl-8-{4-[3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL360280 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159958&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390528 104046351 CHEMBL360280 ZINC28335840 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293885 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2F)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-9-11-17(12-10-16)36-15-20-28-23(31-37-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) IHLGTHQZIHOELI-UHFFFAOYSA-N 50159961 8-{4-[3-(2-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180811 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159961&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390599 104046354 CHEMBL180811 ZINC28137036 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293894 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-19(13-11-18)36-16-21-28-25(37-31-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) IYTGEKISEKLURT-UHFFFAOYSA-N 50159966 1,3-Dipropyl-8-[4-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL181873 Adenosine receptor A2a Homo sapiens >15000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159966&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958522 104046359 CHEMBL181873 ZINC28333475 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293897 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C27H25F3N6O4/c1-3-13-35-23-21(25(37)36(14-4-2)26(35)38)32-22(33-23)16-7-11-19(12-8-16)39-15-20-31-24(40-34-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33) SEEWEGGTAWVJKR-UHFFFAOYSA-N 50159968 1,3-Dipropyl-8-{4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL178662 Adenosine receptor A2a Homo sapiens 4910 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159968&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958541 104046361 CHEMBL178662 ZINC28130893 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293903 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-7-11-19(12-8-16)36-15-20-28-24(37-31-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LHMYROXNDKDUQN-UHFFFAOYSA-N 50159971 8-{4-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL362268 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159971&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10164201 104046364 CHEMBL362268 ZINC28342273 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293904 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LKWRGPUPPVWOTK-UHFFFAOYSA-N 50159959 8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL178172 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159959&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390545 104046352 CHEMBL178172 ZINC28122384 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293905 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) MTTFKOZHQXOLAS-UHFFFAOYSA-N 50159972 1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL180236 Adenosine receptor A2a Homo sapiens 1010 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159972&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390523 104046365 CHEMBL180236 ZINC28339873 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293908 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(C)cc2)cc1 InChI=1S/C27H28N6O4/c1-4-14-32-25-22(26(34)33(15-5-2)27(32)35)29-23(30-25)18-10-12-20(13-11-18)36-16-21-28-24(31-37-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) OIOHCERAXJETSD-UHFFFAOYSA-N 50159974 1,3-Dipropyl-8-[4-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethoxy)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL180559 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159974&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958676 104046367 CHEMBL180559 ZINC28343592 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293909 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1 InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30) JNJWKLSCJORTLT-UHFFFAOYSA-N 50159970 8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL361826 Adenosine receptor A2a Homo sapiens 2940 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159970&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10311510 104046363 CHEMBL361826 ZINC28130291 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293914 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1 InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30) AHJHSANRNGKAFS-UHFFFAOYSA-N 50159975 8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL180693 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159975&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10196114 104046368 CHEMBL180693 ZINC06717057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50293918 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1 InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30) LKWRGPUPPVWOTK-UHFFFAOYSA-N 50159959 8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL178172 Adenosine receptor A2a Homo sapiens >23 ChEMBL 10.1016/j.bmcl.2004.11.044 10.7270/Q29K49QX 15664822 Zablocki, J; Kalla, R; Perry, T; Palle, V; Varkhedkar, V; Xiao, D; Piscopio, A; Maa, T; Gimbel, A; Hao, J; Chu, N; Leung, K; Zeng, D CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50159959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50159959&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44390545 104046352 CHEMBL178172 ZINC28122384 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300440 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C28H27N3O3S2/c1-3-34-27(33)22-20-11-7-8-12-21(20)35-26(22)31-25(32)24-23(18-15-13-17(2)14-16-18)30-28(36-24)29-19-9-5-4-6-10-19/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32) DRBVIQVDWIPGLR-UHFFFAOYSA-N 50064620 CHEMBL3403728 Adenosine receptor A2a Homo sapiens 28400 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064620&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729970 313071307 CHEMBL3403728 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300441 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2N(C)C)sc2CCCCc12 InChI=1S/C24H28N4O3S2/c1-5-31-23(30)18-16-8-6-7-9-17(16)32-22(18)27-21(29)19-20(28(3)4)26-24(33-19)25-15-12-10-14(2)11-13-15/h10-13H,5-9H2,1-4H3,(H,25,26)(H,27,29) UPSIRQTVGYTHEF-UHFFFAOYSA-N 50064621 CHEMBL3403729 Adenosine receptor A2a Homo sapiens 18000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064621&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729971 313071308 CHEMBL3403729 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300503 CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12 InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25) KTCOEYUYZKSGIQ-UHFFFAOYSA-N 50064622 CHEMBL3403730 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064622&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729972 313071309 CHEMBL3403730 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300533 CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27) FCTOTFLVHVXGMI-UHFFFAOYSA-N 50064623 CHEMBL3403731 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064623&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729973 313071310 CHEMBL3403731 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300543 CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C22H23N5OS2/c1-13-8-10-14(11-9-13)24-22-25-19(27(2)3)18(30-22)20(28)26-21-16(12-23)15-6-4-5-7-17(15)29-21/h8-11H,4-7H2,1-3H3,(H,24,25)(H,26,28) HNJQGTQYLKHULB-UHFFFAOYSA-N 50064624 CHEMBL3403732 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064624&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729974 313071311 CHEMBL3403732 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300551 CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29) MEMQHGHFQKPZOS-UHFFFAOYSA-N 50064625 CHEMBL3403733 Adenosine receptor A2a Homo sapiens 22300 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064625&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729975 313071312 CHEMBL3403733 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300554 Cc1ccc(cc1)-c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O InChI=1S/C26H24N4O2S2/c1-15-11-13-16(14-12-15)21-22(34-26(29-21)28-17-7-3-2-4-8-17)24(32)30-25-20(23(27)31)18-9-5-6-10-19(18)33-25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,27,31)(H,28,29)(H,30,32) LNDGSFJHLKTPJU-UHFFFAOYSA-N 50064626 CHEMBL3403734 Adenosine receptor A2a Homo sapiens 3440 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064626&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729976 313071313 CHEMBL3403734 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300567 Cc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 InChI=1S/C27H24N4OS2/c1-16-7-11-18(12-8-16)23-24(34-27(30-23)29-19-13-9-17(2)10-14-19)25(32)31-26-21(15-28)20-5-3-4-6-22(20)33-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32) GJFKAFOYEBYJPS-UHFFFAOYSA-N 50064627 CHEMBL3403735 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064627&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729977 313071314 CHEMBL3403735 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300572 COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1 InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32) BYGFFIKKTIKOJU-UHFFFAOYSA-N 50064628 CHEMBL3403736 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064628&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729978 313071315 CHEMBL3403736 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300591 COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1 InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33) SWPZWSZSXBPZBB-UHFFFAOYSA-N 50064629 CHEMBL3403737 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064629&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729979 313071316 CHEMBL3403737 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300597 Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C#N InChI=1S/C21H20N4OS2/c1-12-7-9-14(10-8-12)24-21-23-13(2)18(28-21)19(26)25-20-16(11-22)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26) RDCBVRBAGNXMMR-UHFFFAOYSA-N 50064630 CHEMBL3403738 Adenosine receptor A2a Homo sapiens 5670 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064630&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729980 313071317 CHEMBL3403738 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300601 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28) AOKQKJLVGCXOFA-UHFFFAOYSA-N 50064631 CHEMBL3403739 Adenosine receptor A2a Homo sapiens 9660 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064631&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729981 313071318 CHEMBL3403739 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300604 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26) ZBWOLBZUALFVNT-UHFFFAOYSA-N 50064632 CHEMBL3403740 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064632&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729982 313071319 CHEMBL3403740 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300626 CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1N(C)C)C(=O)OC InChI=1S/C23H26N4O5S2/c1-7-32-21(29)15-13(3)16(22(30)31-6)33-20(15)26-19(28)17-18(27(4)5)25-23(34-17)24-14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28) FCBHDSLDRNWTJS-UHFFFAOYSA-N 50064633 CHEMBL3403741 Adenosine receptor A2a Homo sapiens 26600 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064633&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729983 313071320 CHEMBL3403741 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300682 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccccc3)nc2N(C)C)sc2CCCCc12 InChI=1S/C23H26N4O3S2/c1-4-30-22(29)17-15-12-8-9-13-16(15)31-21(17)26-20(28)18-19(27(2)3)25-23(32-18)24-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,24,25)(H,26,28) CXMVMWOAQBDGKE-UHFFFAOYSA-N 50064634 CHEMBL3403724 Adenosine receptor A2a Homo sapiens 6450 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064634&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729966 313071321 CHEMBL3403724 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300683 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)sc2CCCCc12 InChI=1S/C23H25N3O3S2/c1-4-29-22(28)18-16-7-5-6-8-17(16)30-21(18)26-20(27)19-14(3)24-23(31-19)25-15-11-9-13(2)10-12-15/h9-12H,4-8H2,1-3H3,(H,24,25)(H,26,27) NOZMIGMIAJRIDQ-UHFFFAOYSA-N 50064635 CHEMBL3403725 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064635&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729967 313071322 CHEMBL3403725 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300685 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C29H29N3O3S2/c1-4-35-28(34)23-21-7-5-6-8-22(21)36-27(23)32-26(33)25-24(19-13-9-17(2)10-14-19)31-29(37-25)30-20-15-11-18(3)12-16-20/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33) AUUOKZGVLJVWKP-UHFFFAOYSA-N 50064636 CHEMBL3403726 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064636&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729968 313071323 CHEMBL3403726 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300689 CCOC(=O)c1c(NC(=O)c2sc(Nc3ccc(OC)cc3)nc2-c2ccc(C)cc2)sc2CCCCc12 InChI=1S/C29H29N3O4S2/c1-4-36-28(34)23-21-7-5-6-8-22(21)37-27(23)32-26(33)25-24(18-11-9-17(2)10-12-18)31-29(38-25)30-19-13-15-20(35-3)16-14-19/h9-16H,4-8H2,1-3H3,(H,30,31)(H,32,33) IARLXKSRRREKCI-UHFFFAOYSA-N 50064637 CHEMBL3403727 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2015.01.040 10.7270/Q2QN68GJ 25686851 Pandya, DH; Sharma, JA; Jalani, HB; Pandya, AN; Sudarsanam, V; Kachler, S; Klotz, KN; Vasu, KK B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064637&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729969 313071324 CHEMBL3403727 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300888 CC(C)(O)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C15H17N3O3S/c1-15(2,21)9-12(19)17-11-5-3-10(4-6-11)13(20)18-14-16-7-8-22-14/h3-8,21H,9H2,1-2H3,(H,17,19)(H,16,18,20) GSINYWQAHFZJDY-UHFFFAOYSA-N 50064902 CHEMBL3401298 Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064902&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728362 103959857 70008 CHEMBL3401298 ZINC05640267 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300890 CC(C)(C)CC(=O)Nc1ccc(nc1)C(=O)Nc1nccs1 InChI=1S/C15H18N4O2S/c1-15(2,3)8-12(20)18-10-4-5-11(17-9-10)13(21)19-14-16-6-7-22-14/h4-7,9H,8H2,1-3H3,(H,18,20)(H,16,19,21) WBYXHZPHWCAWTA-UHFFFAOYSA-N 50064903 CHEMBL3401296 Adenosine receptor A2a Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064903&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728360 103959858 75162 CHEMBL3401296 ZINC05733650 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300891 CC(C)CCNc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C15H19N3OS/c1-11(2)7-8-16-13-5-3-12(4-6-13)14(19)18-15-17-9-10-20-15/h3-6,9-11,16H,7-8H2,1-2H3,(H,17,18,19) JDSMYKUUOQVDLL-UHFFFAOYSA-N 50064904 CHEMBL3401295 Adenosine receptor A2a Homo sapiens 730 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064904&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728359 103959859 CHEMBL3401295 ZINC01614079 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300893 CC(C)(C)CC(=O)Nc1ccc(CNc2nccs2)cc1 InChI=1S/C16H21N3OS/c1-16(2,3)10-14(20)19-13-6-4-12(5-7-13)11-18-15-17-8-9-21-15/h4-9H,10-11H2,1-3H3,(H,17,18)(H,19,20) NKTNOCPVAAZXJE-UHFFFAOYSA-N 50064913 CHEMBL3401294 Adenosine receptor A2a Homo sapiens >6000 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50064913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50064913&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728358 103959868 CHEMBL3401294 ZINC40449461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300894 CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20) NRYURYQHEDZXCQ-UHFFFAOYSA-N 50336728 4-(3-Methyl-butyrylamino)-N-thiazol-2-yl-benzamide::CHEMBL1671921 Adenosine receptor A2a Homo sapiens 59 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336728&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3463042 125086830 CHEMBL1671921 ZINC04676959 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300906 CC(CCN1CCOCC1)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C20H26N4O3S/c1-15(6-8-24-9-11-27-12-10-24)14-18(25)22-17-4-2-16(3-5-17)19(26)23-20-21-7-13-28-20/h2-5,7,13,15H,6,8-12,14H2,1H3,(H,22,25)(H,21,23,26) XXKSMVQSCWXLCH-UHFFFAOYSA-N 50065003 CHEMBL3402641 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065003&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729222 103959958 CHEMBL3402641 ZINC13779994 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300907 CCN(CC)CCC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C20H28N4O2S/c1-4-24(5-2)12-10-15(3)14-18(25)22-17-8-6-16(7-9-17)19(26)23-20-21-11-13-27-20/h6-9,11,13,15H,4-5,10,12,14H2,1-3H3,(H,22,25)(H,21,23,26) JLEPEBSBJCWJFQ-UHFFFAOYSA-N 50065004 CHEMBL3402640 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065004&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118729221 103959959 CHEMBL3402640 ZINC13780008 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300912 CCN(CC)CCCCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C22H32N4O2S/c1-3-26(4-2)16-9-7-5-6-8-10-20(27)24-19-13-11-18(12-14-19)21(28)25-22-23-15-17-29-22/h11-15,17H,3-10,16H2,1-2H3,(H,24,27)(H,23,25,28) WYGDKFREYAXKEJ-UHFFFAOYSA-N 50065005 CHEMBL3401305 Adenosine receptor A2a Homo sapiens 130 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065005&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728369 103959960 CHEMBL3401305 ZINC13779992 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300914 CCN(CC)CCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C20H28N4O2S/c1-3-24(4-2)14-7-5-6-8-18(25)22-17-11-9-16(10-12-17)19(26)23-20-21-13-15-27-20/h9-13,15H,3-8,14H2,1-2H3,(H,22,25)(H,21,23,26) CAHWXIVPCAZWCX-UHFFFAOYSA-N 50065006 CHEMBL3401304 Adenosine receptor A2a Homo sapiens 240 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065006&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728368 103959961 CHEMBL3401304 ZINC13779966 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300915 CCN(CC)CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C19H26N4O2S/c1-3-23(4-2)13-6-5-7-17(24)21-16-10-8-15(9-11-16)18(25)22-19-20-12-14-26-19/h8-12,14H,3-7,13H2,1-2H3,(H,21,24)(H,20,22,25) KKGWFGLSDOMJAN-UHFFFAOYSA-N 50065007 CHEMBL3401303 Adenosine receptor A2a Homo sapiens 830 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065007&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728367 103959962 CHEMBL3401303 ZINC13779963 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300916 CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C15H17N3O2S/c1-2-3-4-13(19)17-12-7-5-11(6-8-12)14(20)18-15-16-9-10-21-15/h5-10H,2-4H2,1H3,(H,17,19)(H,16,18,20) URDDZDCIBYBQCB-UHFFFAOYSA-N 50336725 4-pentanamido-N-(thiazol-2-yl)benzamide::CHEMBL1671917 Adenosine receptor A2a Homo sapiens 190 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336725&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4652320 125086827 CHEMBL1671917 ZINC04676212 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300917 O=C(CC1CCNC1)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C16H18N4O2S/c21-14(9-11-5-6-17-10-11)19-13-3-1-12(2-4-13)15(22)20-16-18-7-8-23-16/h1-4,7-8,11,17H,5-6,9-10H2,(H,19,21)(H,18,20,22) YASYZUJSAWTGNM-UHFFFAOYSA-N 50065008 CHEMBL3401301 Adenosine receptor A2a Homo sapiens >2100 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065008&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728365 103959963 CHEMBL3401301 ZINC13780000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300920 O=C(CC1CCCN1)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C16H18N4O2S/c21-14(10-13-2-1-7-17-13)19-12-5-3-11(4-6-12)15(22)20-16-18-8-9-23-16/h3-6,8-9,13,17H,1-2,7,10H2,(H,19,21)(H,18,20,22) CPCOVXCUVCIEEO-UHFFFAOYSA-N 50065009 CHEMBL3400161 Adenosine receptor A2a Homo sapiens 6600 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065009&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118728364 103959964 CHEMBL3400161 ZINC13779973 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300923 O=C(CC1CCCC1)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C17H19N3O2S/c21-15(11-12-3-1-2-4-12)19-14-7-5-13(6-8-14)16(22)20-17-18-9-10-23-17/h5-10,12H,1-4,11H2,(H,19,21)(H,18,20,22) PGDWGJCQCURYFC-UHFFFAOYSA-N 50065010 CHEMBL3401300 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11290412 103959965 CHEMBL3401300 ZINC13779975 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300924 Cc1cc(ccc1NC(=O)CC(C)(C)C)C(=O)Nc1nccs1 InChI=1S/C17H21N3O2S/c1-11-9-12(15(22)20-16-18-7-8-23-16)5-6-13(11)19-14(21)10-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,21)(H,18,20,22) NLVRAFZOIMAUKQ-UHFFFAOYSA-N 50336714 4-(3,3-Dimethyl-butyrylamino)-3-methyl-N-thiazol-2-yl-benzamide::CHEMBL1671933 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336714&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11313543 125086816 CHEMBL1671933 ZINC66074161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300925 CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 InChI=1S/C16H19N3O2S/c1-16(2,3)10-13(20)18-12-6-4-11(5-7-12)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21) NXJOSCHYVJGECZ-UHFFFAOYSA-N 50336729 4-(3,3-Dimethyl-butyrylamino)-N-thiazol-2-yl-benzamide::CHEMBL1671922 Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336729&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11771503 125086831 CHEMBL1671922 ZINC24918458 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300928 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A2a Homo sapiens 72 ChEMBL 10.1016/j.bmcl.2015.01.062 10.7270/Q22Z1779 25701253 Mikkelsen, GK; Langgård, M; Schrøder, TJ; Kreilgaard, M; Jørgensen, EB; Brandt, G; Griffon, Y; Boffey, R; Bang-Andersen, B H. Lundbeck A/S http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300987 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCC(N)=O)nc(Cl)nc12 InChI=1S/C22H23Cl2N7O5/c1-26-20(35)22-5-11(22)15(16(33)17(22)34)31-8-28-14-18(29-21(24)30-19(14)31)27-6-9-4-10(23)2-3-12(9)36-7-13(25)32/h2-4,8,11,15-17,33-34H,5-7H2,1H3,(H2,25,32)(H,26,35)(H,27,29,30)/t11-,15-,16+,17+,22-/m1/s1 ZWRNXJPEIGVJQX-DYBQNUGTSA-N 50163008 1N-methyl-4-[6-(2-carbamoylmethoxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL177443 Adenosine receptor A2a Homo sapiens 800 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163008&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73352882 104049101 CHEMBL177443 ZINC18804842 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300988 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OCc3ccccc3)nc(Cl)nc12 InChI=1S/C27H26Cl2N6O4/c1-30-25(38)27-10-17(27)20(21(36)22(27)37)35-13-32-19-23(33-26(29)34-24(19)35)31-11-15-9-16(28)7-8-18(15)39-12-14-5-3-2-4-6-14/h2-9,13,17,20-22,36-37H,10-12H2,1H3,(H,30,38)(H,31,33,34)/t17-,20-,21+,22+,27-/m1/s1 DGZKRHKJMSCQBD-PFBLAMEFSA-N 50163006 1N-methyl-4-[6-(2-benzyloxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL434328 Adenosine receptor A2a Homo sapiens 850 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163006&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73352883 104049099 CHEMBL434328 ZINC28103215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50300993 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 AGCJNWSEWOWGRS-DDDALXFXSA-N 50100418 (1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL27376 Adenosine receptor A2a Homo sapiens 784 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9850648 103997193 CHEMBL27376 ZINC28764076 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301005 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1 SDIFQMIJZMPOMA-QNEDUEMWSA-N 50163016 (1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL353319 Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163016&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11329375 104049109 CHEMBL353319 ZINC13611548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301015 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 GAYWHRPOIWFKIF-DDDALXFXSA-N 50163020 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175543 Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11248240 104049113 CHEMBL175543 ZINC13611544 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301016 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 OOEMZCZWZXHBKW-SCFUHWHPSA-N 50080390 (2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-methyl-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::Adenosine analog, 16::CHEMBL331382::Metrifudil Adenosine receptor A2a Homo sapiens 760 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080390&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 65710 103980561 CHEMBL331382 426 ZINC04216929 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301017 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3Cl)nc(Cl)nc12 InChI=1S/C20H19Cl2IN6O3/c1-24-18(32)20-5-10(20)13(14(30)15(20)31)29-7-26-12-16(27-19(22)28-17(12)29)25-6-8-4-9(23)2-3-11(8)21/h2-4,7,10,13-15,30-31H,5-6H2,1H3,(H,24,32)(H,25,27,28)/t10-,13-,14+,15+,20-/m1/s1 XZCOZCPAEZROHY-WRQNOASSSA-N 50163019 1N-methyl-4-[2-chloro-6-(2-chloro-5-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175430 Adenosine receptor A2a Homo sapiens 480 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163019&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73346835 104049112 CHEMBL175430 ZINC28113659 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301023 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccnc3)ncnc12 InChI=1S/C16H18N6O4/c23-6-10-12(24)13(25)16(26-10)22-8-21-11-14(19-7-20-15(11)22)18-5-9-2-1-3-17-4-9/h1-4,7-8,10,12-13,16,23-25H,5-6H2,(H,18,19,20)/t10-,12-,13-,16-/m1/s1 OGGGQWLDZCHKIQ-XNIJJKJLSA-N 50163024 (2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(pyridin-3-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-3,4-diol::CHEMBL364671 Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163024&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401545 104049117 CHEMBL364671 ZINC13611537 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301026 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A2a Homo sapiens 2900 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301030 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C20H21IN6O3/c1-22-19(30)20-6-12(20)14(15(28)16(20)29)27-9-26-13-17(24-8-25-18(13)27)23-7-10-3-2-4-11(21)5-10/h2-5,8-9,12,14-16,28-29H,6-7H2,1H3,(H,22,30)(H,23,24,25)/t12-,14-,15+,16+,20+/m1/s1 USWIYPRHODPZSP-MQZHODQLSA-N 50100423 (1S,2R,3S,4R,5S)-2,3-Dihydroxy-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-2,3-dihydroxy-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL280580 Adenosine receptor A2a Homo sapiens 6200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10256116 103997198 CHEMBL280580 ZINC28765599 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301035 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C20H20BrClN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1 HYFDTLBXWNFVQO-KZOVSVDNSA-N 50163025 (1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[6-(3-bromobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL425741 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73349930 104049118 CHEMBL425741 ZINC13611542 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301044 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12 InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-13,15-16,19,25-27H,6-7H2,(H,20,21,23)/t11?,12?,13-,15-,16-,19-/m1/s1 GAIXIJBBHRACLL-UIKOTCIDSA-N 50163010 (2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-phenyl-cyclopropylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL193421 Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401487 104049103 CHEMBL193421 ZINC13611535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301045 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C17H17ClIN5O4/c18-17-22-14(20-5-8-2-1-3-9(19)4-8)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,22,23)/t10-,12-,13-,16-/m1/s1 MIBNONCHNQYLDV-XNIJJKJLSA-N 50088421 (2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL307199 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10346511 103987336 CHEMBL307199 ZINC12405715 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301049 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5400 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301051 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3ccc(N)c(I)c3)nc(Cl)nc12 InChI=1S/C20H21ClIN7O3/c1-24-18(32)20-5-9(20)13(14(30)15(20)31)29-7-26-12-16(27-19(21)28-17(12)29)25-6-8-2-3-11(23)10(22)4-8/h2-4,7,9,13-15,30-31H,5-6,23H2,1H3,(H,24,32)(H,25,27,28)/t9-,13-,14+,15+,20-/m1/s1 QCQJRAODDRNEQU-OQVYSTTDSA-N 50163026 1N-methyl-4-[6-(4-amino-3-iodobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL366560 Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73355960 104049119 CHEMBL366560 ZINC28113672 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301080 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H20IN5O3/c20-11-3-1-2-10(4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1 VIXCVSNTFYSXDO-DPNDMPAOSA-N 50088425 (1R,2R,3S,4R,5S)-1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-Hydroxymethyl-4-[6-(3-iodo-benzylamino)-purin-9-yl]-bicyclo[3.1.0]hexane-2,3-diol::1-hydroxymethyl-4-[6-(3-iodobenzylamino)-9H-9-purinyl]-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL417292 Adenosine receptor A2a Homo sapiens 860 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9805713 103987340 CHEMBL417292 ZINC03975385 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301082 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(I)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22ClIN6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(22)28-18(13)29)25-7-9-5-10(23)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21-/m1/s1 IQHJAUYJWIFZFF-MAUXMWESSA-N 50163029 1N-methyl-4-[2-chloro-6-(5-iodo-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175895 Adenosine receptor A2a Homo sapiens 430 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163029&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73345315 104049122 CHEMBL175895 ZINC28113664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301085 OC[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H19ClIN5O3/c20-18-24-16(22-6-9-2-1-3-10(21)4-9)12-17(25-18)26(8-23-12)13-11-5-19(11,7-27)15(29)14(13)28/h1-4,8,11,13-15,27-29H,5-7H2,(H,22,24,25)/t11-,13-,14+,15+,19+/m1/s1 ISZYFLVJJCPYGN-NFPQMFLLSA-N 50088428 (1R,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol::4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-1-hydroxymethyl-(1R,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-2,3-diol::CHEMBL27809 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088428&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9893136 103987343 CHEMBL27809 ZINC03975387 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301089 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C17H18IN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 TWLWIJNPUVZDOB-LSCFUAHRSA-N 50088422 (2R,3R,4S,5R)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol::CHEMBL66393 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50088422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50088422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10254700 103987337 CHEMBL66393 ZINC03985921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301098 CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12 InChI=1S/C27H27ClN6O3/c1-29-25(37)27-12-18(27)20(21(35)22(27)36)34-14-31-19-23(32-26(28)33-24(19)34)30-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-22,35-36H,12-13H2,1H3,(H,29,37)(H,30,32,33)/t18-,20-,21+,22+,27-/m1/s1 GSEPPCKOQUMRLH-ISRHKJNMSA-N 50163031 (1S,2R,3S,4R,5S)-4-(2-chloro-6-(2,2-diphenylethylamino)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(2,2-diphenylethylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL368872 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163031&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 73349920 104049124 CHEMBL368872 ZINC28112733 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301099 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C17H18ClN5O4/c18-10-3-1-2-9(4-10)5-19-15-12-16(21-7-20-15)23(8-22-12)17-14(26)13(25)11(6-24)27-17/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1 YRFQIOJJXMEZGA-LSCFUAHRSA-N 50163028 (2R,3R,4S,5R)-2-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-(3-Chloro-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL193385 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10046002 104049121 CHEMBL193385 ZINC13611527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301106 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)ncnc12 InChI=1S/C24H25N5O4/c30-12-18-20(31)21(32)24(33-18)29-14-28-19-22(26-13-27-23(19)29)25-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,24,30-32H,11-12H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1 TUGMXIURLRAWSS-UMCMBGNQSA-N 50163015 (2R,3R,4S,5R)-2-[6-(2,2-Diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL193692 Adenosine receptor A2a Homo sapiens 510 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163015 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163015&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10388920 104049108 CHEMBL193692 ZINC13611539 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50301107 COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H20ClN5O5/c1-28-11-3-2-10(19)4-9(11)5-20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(6-25)29-18/h2-4,7-8,12,14-15,18,25-27H,5-6H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1 GPTLISQFNJWPRC-SCFUHWHPSA-N 50163018 (2R,3R,4S,5R)-2-[6-(5-Chloro-2-methoxy-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL191809 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1021/jm049580r 10.7270/Q23F4P52 15771421 Tchilibon, S; Joshi, BV; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163018&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 13506474 104049111 CHEMBL191809 ZINC13611529 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304384 Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1 InChI=1S/C20H15N5O/c21-20-23-17(16-6-3-9-26-16)18-19(24-20)25(12-22-18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2,(H2,21,23,24) CRXZFUDMLLQMOR-UHFFFAOYSA-N 50165053 6-Furan-2-yl-9-naphthalen-2-ylmethyl-9H-purin-2-ylamine::CHEMBL195364 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11566322 104050648 CHEMBL195364 ZINC28522602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304385 Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1 InChI=1S/C18H17N5O/c19-18-21-15(14-9-5-11-24-14)16-17(22-18)23(12-20-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,19,21,22) KUBCULDZDHDDSR-UHFFFAOYSA-N 50165052 6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine::CHEMBL193761 Adenosine receptor A2a Homo sapiens 6.8 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165052&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9858219 104050647 CHEMBL193761 ZINC28523787 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304386 Nc1nc(-c2ccco2)c2ncn(-c3ccccc3)c2n1 InChI=1S/C15H11N5O/c16-15-18-12(11-7-4-8-21-11)13-14(19-15)20(9-17-13)10-5-2-1-3-6-10/h1-9H,(H2,16,18,19) VEZSQJIGMFDZRT-UHFFFAOYSA-N 50165054 6-Furan-2-yl-9-phenyl-9H-purin-2-ylamine::CHEMBL439336 Adenosine receptor A2a Homo sapiens 68.5 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401937 104050649 CHEMBL439336 ZINC28524556 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304387 COc1ccccc1Cn1cnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C17H15N5O2/c1-23-12-6-3-2-5-11(12)9-22-10-19-15-14(13-7-4-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21) LLQZFSZFGIBWMD-UHFFFAOYSA-N 50165055 6-Furan-2-yl-9-(2-methoxy-benzyl)-9H-purin-2-ylamine::CHEMBL195866 Adenosine receptor A2a Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165055&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401735 104050650 CHEMBL195866 ZINC28523190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304388 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1 InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24) LSFHXSDZJHMJAH-UHFFFAOYSA-N 50165056 6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin-2-ylamine::9-(4-(trifluoromethyl)benzyl)-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL424827 Adenosine receptor A2a Homo sapiens 20.5 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165056&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10269806 104050651 CHEMBL424827 ZINC28523195 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304389 Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cc(F)cc3F)c2n1 InChI=1S/C16H10F3N5O/c17-8-4-10(18)9(11(19)5-8)6-24-7-21-14-13(12-2-1-3-25-12)22-16(20)23-15(14)24/h1-5,7H,6H2,(H2,20,22,23) XSKSCOIXJWVHNE-UHFFFAOYSA-N 50165057 6-Furan-2-yl-9-(2,4,6-trifluoro-benzyl)-9H-purin-2-ylamine::CHEMBL372928 Adenosine receptor A2a Homo sapiens 26 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165057&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401764 104050652 CHEMBL372928 ZINC28521475 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304390 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(Cl)cc3)c2n1 InChI=1S/C16H12ClN5O/c17-11-5-3-10(4-6-11)8-22-9-19-14-13(12-2-1-7-23-12)20-16(18)21-15(14)22/h1-7,9H,8H2,(H2,18,20,21) QOTYXLIMOYBIMH-UHFFFAOYSA-N 50165058 9-(4-Chloro-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL195330 Adenosine receptor A2a Homo sapiens 21.5 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165058&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401805 104050653 CHEMBL195330 ZINC28522432 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304391 CC(C)c1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C19H19N5O/c1-12(2)14-7-5-13(6-8-14)10-24-11-21-17-16(15-4-3-9-25-15)22-19(20)23-18(17)24/h3-9,11-12H,10H2,1-2H3,(H2,20,22,23) HDTZXVISASWKGX-UHFFFAOYSA-N 50165061 6-Furan-2-yl-9-(4-isopropyl-benzyl)-9H-purin-2-ylamine::CHEMBL195294 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165061&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9945542 104050656 CHEMBL195294 ZINC28523341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304392 Nc1nc(-c2ccco2)c2ncn(Cc3cc4OCOc4cc3Cl)c2n1 InChI=1S/C17H12ClN5O3/c18-10-5-13-12(25-8-26-13)4-9(10)6-23-7-20-15-14(11-2-1-3-24-11)21-17(19)22-16(15)23/h1-5,7H,6,8H2,(H2,19,21,22) FZABPMWAXZBSBJ-UHFFFAOYSA-N 50165059 9-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL195543 Adenosine receptor A2a Homo sapiens 6.3 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165059&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401899 104050654 CHEMBL195543 ZINC28521101 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304393 CC(c1ccccc1)n1cnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C17H15N5O/c1-11(12-6-3-2-4-7-12)22-10-19-15-14(13-8-5-9-23-13)20-17(18)21-16(15)22/h2-11H,1H3,(H2,18,20,21) FWPYDOWZSSHTGL-UHFFFAOYSA-N 50165060 6-Furan-2-yl-9-(1-phenyl-ethyl)-9H-purin-2-ylamine::CHEMBL372064 Adenosine receptor A2a Homo sapiens 381.0 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165060&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401720 104050655 CHEMBL372064 ZINC28523798 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304394 Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3CS(=O)(=O)c3ccccc3)c2n1 InChI=1S/C23H19N5O3S/c24-23-26-20(19-11-6-12-31-19)21-22(27-23)28(15-25-21)13-16-7-4-5-8-17(16)14-32(29,30)18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,24,26,27) LZFWVIFXSFJRRE-UHFFFAOYSA-N 50165063 9-(2-Benzenesulfonylmethyl-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL195503 Adenosine receptor A2a Homo sapiens 3.1 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165063&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401558 104050658 CHEMBL195503 ZINC28523062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304395 COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C17H15N5O2/c1-23-12-5-2-4-11(8-12)9-22-10-19-15-14(13-6-3-7-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21) JYKYLQJPKIJUOX-UHFFFAOYSA-N 50165062 6-Furan-2-yl-9-(3-methoxy-benzyl)-9H-purin-2-ylamine::9-(3-methoxybenzyl)-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL371436 Adenosine receptor A2a Homo sapiens 12.3 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165062&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9966890 104050657 CHEMBL371436 ZINC28524204 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304396 Nc1nc(-c2ccco2)c2ncn(Cc3c(Cl)cccc3Cl)c2n1 InChI=1S/C16H11Cl2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22) JTYVCSYDVGSSFY-UHFFFAOYSA-N 50165065 9-(2,6-Dichloro-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL193414 Adenosine receptor A2a Homo sapiens 7.1 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165065&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401808 104050660 CHEMBL193414 ZINC28523818 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304397 Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1 InChI=1S/C20H15N5O/c21-20-23-17(16-9-4-10-26-16)18-19(24-20)25(12-22-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,23,24) KNEBOLCFPUBPIG-UHFFFAOYSA-N 50165067 6-Furan-2-yl-9-naphthalen-1-ylmethyl-9H-purin-2-ylamine::CHEMBL193613 Adenosine receptor A2a Homo sapiens 5.6 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165067&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401809 104050662 CHEMBL193613 ZINC28523653 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304398 Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1 InChI=1S/C16H13N5O/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,19,20) FZKKCBUDFSOYPA-UHFFFAOYSA-N 50165066 9-Benzyl-6-furan-2-yl-9H-purin-2-ylamine::9-benzyl-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL196436 Adenosine receptor A2a Homo sapiens 34.9 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165066&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401938 104050661 CHEMBL196436 ZINC28524557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304399 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3F)C(F)(F)F)c2n1 InChI=1S/C17H11F4N5O/c18-11-6-10(17(19,20)21)4-3-9(11)7-26-8-23-14-13(12-2-1-5-27-12)24-16(22)25-15(14)26/h1-6,8H,7H2,(H2,22,24,25) FIZHCYGMIIQLNR-UHFFFAOYSA-N 50165064 9-(2-Fluoro-4-trifluoromethyl-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL372475 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165064&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16128761 104050659 CHEMBL372475 ZINC28522937 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304400 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 4.3 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304401 Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1 InChI=1S/C17H15N5O/c18-17-20-14(13-7-4-10-23-13)15-16(21-17)22(11-19-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21) LOCNLYLIABVQFH-UHFFFAOYSA-N 50165068 6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine::CHEMBL194383 Adenosine receptor A2a Homo sapiens 270.5 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165068&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401799 104050663 CHEMBL194383 ZINC28523098 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304402 Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1 InChI=1S/C16H11F2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22) YTWMJKSWSGCEPN-UHFFFAOYSA-N 50165069 9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::9-(2,6-difluorobenzyl)-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL371615 Adenosine receptor A2a Homo sapiens 4.5 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165069&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9967147 104050664 CHEMBL371615 ZINC28522580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304403 COc1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C17H15N5O2/c1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21) LCUMBBXSKKIJQK-UHFFFAOYSA-N 50165071 2-amino-6-(2-furyl)-9-(4-methoxyphenylmethyl)-9Hpurine::6-Furan-2-yl-9-(4-methoxy-benzyl)-9H-purin-2-ylamine::CHEMBL195410 Adenosine receptor A2a Homo sapiens 7.7 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165071&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401884 104050666 CHEMBL195410 ZINC28523512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50304404 Nc1nc(-c2ccco2)c2ncn(Cc3ccc(c(F)c3)C(F)(F)F)c2n1 InChI=1S/C17H11F4N5O/c18-11-6-9(3-4-10(11)17(19,20)21)7-26-8-23-14-13(12-2-1-5-27-12)24-16(22)25-15(14)26/h1-6,8H,7H2,(H2,22,24,25) JUPMBGSOWZPMSX-UHFFFAOYSA-N 50165070 9-(3-Fluoro-4-trifluoromethyl-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::CHEMBL197148 Adenosine receptor A2a Homo sapiens 8.7 ChEMBL 10.1016/j.bmcl.2005.02.031 10.7270/Q2542N3H 15808481 Kiselgof, E; Tulshian, DB; Arik, L; Zhang, H; Fawzi, A Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50165070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50165070&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44401992 104050665 CHEMBL197148 ZINC28524982 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325188 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OCCOC)cc3)nc12 InChI=1S/C27H39N9O6/c1-3-29-25(39)22-20(37)21(38)26(42-22)36-16-31-19-23(28)32-27(33-24(19)36)30-8-9-34-10-12-35(13-11-34)17-4-6-18(7-5-17)41-15-14-40-2/h4-7,16,20-22,26,37-38H,3,8-15H2,1-2H3,(H,29,39)(H3,28,30,32,33)/t20-,21+,22-,26+/m0/s1 UFKWKIGRCPIVAD-IMIIHFCZSA-N 50079336 CHEMBL3416787 Adenosine receptor A2a Homo sapiens 56 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079336&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734352 313073927 CHEMBL3416787 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325191 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(4-6-15)24(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 FMQNJPHYANXUNL-QPXQOZNCSA-N 50079335 CHEMBL3416788 Adenosine receptor A2a Homo sapiens 30 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079335&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734353 313073926 CHEMBL3416788 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325194 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3)nc12 InChI=1S/C26H35N9O6/c1-2-28-24(40)21-19(38)20(39)25(41-21)35-14-30-18-22(27)31-26(32-23(18)35)29-7-8-33-9-11-34(12-10-33)16-5-3-15(4-6-16)13-17(36)37/h3-6,14,19-21,25,38-39H,2,7-13H2,1H3,(H,28,40)(H,36,37)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 KTNUWYYHFXCLOM-UGCAPWQASA-N 50079334 CHEMBL3416789 Adenosine receptor A2a Homo sapiens 84 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079334&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734354 313073925 CHEMBL3416789 C03768 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325195 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(Cl)c3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(25)12-15/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 HROCURHVTSOKAN-QPXQOZNCSA-N 50079333 CHEMBL3416790 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079333&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734355 313073924 CHEMBL3416790 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325199 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(c3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(12-15)24(38)39/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 YTZMYAPRHFADAK-QPXQOZNCSA-N 50079332 CHEMBL3416791 Adenosine receptor A2a Homo sapiens 72 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079332&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734356 313073923 CHEMBL3416791 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325201 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3F)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 WASZKNXEGGPPSK-QPXQOZNCSA-N 50079329 CHEMBL3416792 Adenosine receptor A2a Homo sapiens 7.8 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079329&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734357 313073922 CHEMBL3416792 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325203 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3Cl)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 JWKSLRKCKNJUQV-QPXQOZNCSA-N 50079328 CHEMBL3416793 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079328&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734358 313073921 CHEMBL3416793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325210 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-6-4-3-5-14(15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 XXPCRZFQXJAQCO-QPXQOZNCSA-N 50079327 CHEMBL3416794 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079327&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734359 313073920 CHEMBL3416794 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325213 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3OC)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-6-4-5-7-16(15)38-2/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 OUHCEJLDHLLTDI-CMCWBKRRSA-N 50079326 CHEMBL3416795 Adenosine receptor A2a Homo sapiens 277 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079326&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734360 313073919 CHEMBL3416795 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325216 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)c(Cl)c3)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-15(26)14(25)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 OLGILINEDFSECC-QPXQOZNCSA-N 50079325 CHEMBL3416796 Adenosine receptor A2a Homo sapiens 34 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079325&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734361 313073918 CHEMBL3416796 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-14(25)15(26)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 CBDPEPRMHBCTEB-QPXQOZNCSA-N 50079324 CHEMBL3414573 Adenosine receptor A2a Homo sapiens 26 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079324&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734362 313073917 CHEMBL3414573 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325224 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cc(Cl)cc(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-3-4-33-5-7-34(8-6-33)15-10-13(25)9-14(26)11-15/h9-12,17-19,23,36-37H,2-8H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 DJUDKDQJDINBSJ-QPXQOZNCSA-N 50079323 CHEMBL3416797 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079323&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734363 313073916 CHEMBL3416797 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327293 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2Cl)c1 InChI=1S/C24H24ClN7O3/c1-3-9-31-22-20(23(33)32(10-4-2)24(31)34)27-21(28-22)15-12-26-30(13-15)14-16-11-19(35-29-16)17-7-5-6-8-18(17)25/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,27,28) LZJYHGFREOFXEY-UHFFFAOYSA-N 50176761 8-(1-((5-(2-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200154 Adenosine receptor A2a Homo sapiens 2700 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176761&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266763 104062406 CHEMBL200154 ZINC28563696 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327294 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) FUKUTZINQOQZRW-UHFFFAOYSA-N 50233109 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252045 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233109&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266765 104055675 CHEMBL252045 ZINC28564191 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327305 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-8-34-20-18(22(36)35(9-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31) OILNSCATNARSBR-UHFFFAOYSA-N 50176759 1,3-dipropyl-8-(1-((5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL382929 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176759&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266784 104062405 CHEMBL382929 ZINC28566929 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327307 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)14-11-28-33(12-14)13-17-29-21(38-32-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) IOTRJIZEQHVEOO-UHFFFAOYSA-N 50176743 1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199692 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176743&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406567 104062390 CHEMBL199692 ZINC28566849 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327308 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-8-34-21-18(22(36)35(9-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31) QMECXENLVJOBDP-UHFFFAOYSA-N 50176737 1,3-dipropyl-8-(1-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199471 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176737&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406617 104062384 CHEMBL199471 ZINC28564300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327309 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(OC)cc2)c1 InChI=1S/C25H27N7O4/c1-4-10-31-23-21(24(33)32(11-5-2)25(31)34)27-22(28-23)17-13-26-30(14-17)15-18-12-20(36-29-18)16-6-8-19(35-3)9-7-16/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,27,28) QQBJPXVLPLOQPX-UHFFFAOYSA-N 50176763 8-(1-((5-(4-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371649 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406328 104062408 CHEMBL371649 ZINC28563217 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327312 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1 InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) YDUJXUZNKIBUEF-UHFFFAOYSA-N 50176745 8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200278 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176745&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406555 104062392 CHEMBL200278 ZINC28564108 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327314 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1 InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) RLXWTYPPMJNURK-UHFFFAOYSA-N 50176767 1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200349 Adenosine receptor A2a Homo sapiens 3000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958758 104062412 CHEMBL200349 ZINC28564205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327319 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(Cl)c2)c1 InChI=1S/C23H23ClN8O3/c1-3-8-31-20-18(22(33)32(9-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28) FBMNTUOAGVOQKV-UHFFFAOYSA-N 50176746 8-(1-((5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200146 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176746&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406625 104062393 CHEMBL200146 ZINC28564190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327320 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) HLTWCJCIPYYETO-UHFFFAOYSA-N 50176740 8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL372084 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176740&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11260448 104062387 CHEMBL372084 ZINC03838251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327327 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C25H24F3N7O3/c1-3-9-34-22-20(23(36)35(10-4-2)24(34)37)30-21(31-22)15-12-29-33(13-15)14-16-11-19(38-32-16)17-7-5-6-8-18(17)25(26,27)28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,30,31) JMGVPHKAJLBFKK-UHFFFAOYSA-N 50176750 1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200739 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176750&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406398 104062397 CHEMBL200739 ZINC28563527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327328 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1 InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) AUMGXDRTMXHQMJ-UHFFFAOYSA-N 50176739 4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-5-yl)benzonitrile::CHEMBL199895 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176739&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406611 104062386 CHEMBL199895 ZINC28564397 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327331 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) UVQLPCJQNUCWNY-UHFFFAOYSA-N 50176756 1,3-dipropyl-8-(1-((3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL199309 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176756&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406639 104062403 CHEMBL199309 ZINC28564358 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327332 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2OC)c1 InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)15-12-25-30(13-15)14-18-26-22(36-29-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) FHVPRDYQIAZXMF-UHFFFAOYSA-N 50176762 8-(1-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL372951 Adenosine receptor A2a Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958814 104062407 CHEMBL372951 ZINC28564224 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327334 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2Cl)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)14-11-25-30(12-14)13-17-26-21(35-29-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) CIEOLLDIUUWRAM-UHFFFAOYSA-N 50176768 8-(1-((5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL199732 Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176768&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406607 104062413 CHEMBL199732 ZINC28564256 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327341 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)14-11-28-33(12-14)13-17-29-20(32-38-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) VSKYJNJABJKLAI-UHFFFAOYSA-N 50176742 1,3-dipropyl-8-(1-((3-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200313 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176742&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406592 104062389 CHEMBL200313 ZINC28564059 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327342 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1 InChI=1S/C23H23ClN8O3/c1-3-8-31-21-18(22(33)32(9-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28) FZKRWJLOBPSPCD-UHFFFAOYSA-N 50176752 8-(1-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL370380 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176752&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406643 104062399 CHEMBL370380 ZINC28564246 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327348 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1 InChI=1S/C24H26N8O4/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) VHCMKIWJHOKZOE-UHFFFAOYSA-N 50176749 8-(1-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371676 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176749&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406562 104062396 CHEMBL371676 ZINC28564268 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327352 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 InChI=1S/C24H24ClN7O3/c1-3-9-31-22-20(23(33)32(10-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-5-7-17(25)8-6-15/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,27,28) KUJVZIZZBPNWDC-UHFFFAOYSA-N 50176754 8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL427016 Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176754&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266738 104062401 CHEMBL427016 ZINC28563699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327357 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2OC)c1 InChI=1S/C25H27N7O4/c1-4-10-31-23-21(24(33)32(11-5-2)25(31)34)27-22(28-23)16-13-26-30(14-16)15-17-12-20(36-29-17)18-8-6-7-9-19(18)35-3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,27,28) XBRDCSKEICKEMR-UHFFFAOYSA-N 50176753 8-(1-((5-(2-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200509 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176753&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406334 104062400 CHEMBL200509 ZINC28563229 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327358 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-21-18(22(32)31(11-4-2)23(30)33)26-19(27-21)16-12-24-29(13-16)14-17-25-20(28-34-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) BVWSIHNUHWGLEX-UHFFFAOYSA-N 50176751 8-(1-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200779 Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176751&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11705261 104062398 CHEMBL200779 ZINC03838252 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327360 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1 InChI=1S/C24H26N8O3/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-7-15(3)11-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) KBKMBTRVTSCGHX-UHFFFAOYSA-N 50176766 1,3-dipropyl-8-(1-((3-m-tolyl-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200350 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406582 104062411 CHEMBL200350 ZINC28564207 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327363 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) MPKZAVFMYJALAY-UHFFFAOYSA-N 50176769 8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200370 Adenosine receptor A2a Homo sapiens 2500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406545 104062414 CHEMBL200370 ZINC28563828 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323096 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1 MAIBBTQWLYABNH-FLNNQWSLSA-N 50078422 CHEMBL3414936 Adenosine receptor A2a Homo sapiens 8.1 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732971 103970973 CHEMBL3414936 ZINC13557127 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325228 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(F)c3F)nc12 InChI=1S/C24H31F2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-6-7-33-8-10-34(11-9-33)14-5-3-4-13(25)15(14)26/h3-5,12,17-19,23,36-37H,2,6-11H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 RYJFGYAMEOEOBG-QPXQOZNCSA-N 50079322 CHEMBL3416798 Adenosine receptor A2a Homo sapiens 5.5 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079322&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734364 313073915 CHEMBL3416798 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325230 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)15-4-3-13(25)11-14(15)26/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 JJWGGTHCGBCFBM-QPXQOZNCSA-N 50079321 CHEMBL3416799 Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079321&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734365 313073914 CHEMBL3416799 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325233 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3Br)nc12 InChI=1S/C26H34BrN9O6/c1-2-29-24(41)21-19(39)20(40)25(42-21)36-13-31-18-22(28)32-26(33-23(18)36)30-5-6-34-7-9-35(10-8-34)16-4-3-14(11-15(16)27)12-17(37)38/h3-4,11,13,19-21,25,39-40H,2,5-10,12H2,1H3,(H,29,41)(H,37,38)(H3,28,30,32,33)/t19-,20+,21-,25+/m0/s1 OXDQFSDLOJUORN-UGCAPWQASA-N 50079320 CHEMBL3416800 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079320&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734366 313073913 CHEMBL3416800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325234 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325235 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 18 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325237 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)cc3)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 UUSVRSTYDYSXBA-QPXQOZNCSA-N 50079293 CHEMBL3416779 Adenosine receptor A2a Homo sapiens 145 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079293&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734344 103971603 CHEMBL3416779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325238 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 PZLZIKJDRCOOML-QPXQOZNCSA-N 50079273 CHEMBL3416780 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079273&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734345 313073912 CHEMBL3416780 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325239 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Br)cc3)nc12 InChI=1S/C24H32BrN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 XOSDFDDQMHOETR-QPXQOZNCSA-N 50079272 CHEMBL3416781 Adenosine receptor A2a Homo sapiens 43 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079272&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734346 103971583 CHEMBL3416781 ZINC26719844 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325241 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(I)cc3)nc12 InChI=1S/C24H32IN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 IKLBWPAQQVFTEQ-QPXQOZNCSA-N 50079271 CHEMBL3416782 Adenosine receptor A2a Homo sapiens 156 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079271&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734347 103971582 CHEMBL3416782 ZINC38145309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325243 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-5-3-14(4-6-15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 RKLFDOIAXZNEOW-QPXQOZNCSA-N 50079340 CHEMBL3416783 Adenosine receptor A2a Homo sapiens 47 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079340&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734348 313073931 CHEMBL3416783 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325246 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)nc12 InChI=1S/C24H32N10O6/c1-2-26-22(37)19-17(35)18(36)23(40-19)33-13-28-16-20(25)29-24(30-21(16)33)27-7-8-31-9-11-32(12-10-31)14-3-5-15(6-4-14)34(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,26,37)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 LSZORRNSFRRABA-QPXQOZNCSA-N 50079339 CHEMBL3416784 Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079339&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734349 313073930 CHEMBL3416784 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325247 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(C)cc3)nc12 InChI=1S/C25H35N9O4/c1-3-27-23(37)20-18(35)19(36)24(38-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)16-6-4-15(2)5-7-16/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 SAHDAZUFESIDFC-CMCWBKRRSA-N 50079338 CHEMBL3416785 Adenosine receptor A2a Homo sapiens 112 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079338&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734350 313073929 CHEMBL3416785 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325248 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OC)cc3)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-4-6-16(38-2)7-5-15/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 MVIMKMKGSXJLAG-CMCWBKRRSA-N 50079337 CHEMBL3416786 Adenosine receptor A2a Homo sapiens 62 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079337&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734351 313073928 CHEMBL3416786 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325250 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OCCOC)cc3)nc12 InChI=1S/C27H39N9O6/c1-3-29-25(39)22-20(37)21(38)26(42-22)36-16-31-19-23(28)32-27(33-24(19)36)30-8-9-34-10-12-35(13-11-34)17-4-6-18(7-5-17)41-15-14-40-2/h4-7,16,20-22,26,37-38H,3,8-15H2,1-2H3,(H,29,39)(H3,28,30,32,33)/t20-,21+,22-,26+/m0/s1 UFKWKIGRCPIVAD-IMIIHFCZSA-N 50079336 CHEMBL3416787 Adenosine receptor A2a Homo sapiens 84 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079336&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734352 313073927 CHEMBL3416787 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325254 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(4-6-15)24(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 FMQNJPHYANXUNL-QPXQOZNCSA-N 50079335 CHEMBL3416788 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079335 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079335&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734353 313073926 CHEMBL3416788 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325256 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3)nc12 InChI=1S/C26H35N9O6/c1-2-28-24(40)21-19(38)20(39)25(41-21)35-14-30-18-22(27)31-26(32-23(18)35)29-7-8-33-9-11-34(12-10-33)16-5-3-15(4-6-16)13-17(36)37/h3-6,14,19-21,25,38-39H,2,7-13H2,1H3,(H,28,40)(H,36,37)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 KTNUWYYHFXCLOM-UGCAPWQASA-N 50079334 CHEMBL3416789 Adenosine receptor A2a Homo sapiens 103 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079334&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734354 313073925 CHEMBL3416789 C03768 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325258 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(Cl)c3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(25)12-15/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 HROCURHVTSOKAN-QPXQOZNCSA-N 50079333 CHEMBL3416790 Adenosine receptor A2a Homo sapiens 46 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079333&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734355 313073924 CHEMBL3416790 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325259 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(c3)C(O)=O)nc12 InChI=1S/C25H33N9O6/c1-2-27-22(37)19-17(35)18(36)23(40-19)34-13-29-16-20(26)30-25(31-21(16)34)28-6-7-32-8-10-33(11-9-32)15-5-3-4-14(12-15)24(38)39/h3-5,12-13,17-19,23,35-36H,2,6-11H2,1H3,(H,27,37)(H,38,39)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 YTZMYAPRHFADAK-QPXQOZNCSA-N 50079332 CHEMBL3416791 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079332&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734356 313073923 CHEMBL3416791 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325260 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3F)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 WASZKNXEGGPPSK-QPXQOZNCSA-N 50079329 CHEMBL3416792 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079329 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079329&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734357 313073922 CHEMBL3416792 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325262 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3Cl)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-6-4-3-5-14(15)25/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 JWKSLRKCKNJUQV-QPXQOZNCSA-N 50079328 CHEMBL3416793 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079328 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079328&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734358 313073921 CHEMBL3416793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325265 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-6-4-3-5-14(15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 XXPCRZFQXJAQCO-QPXQOZNCSA-N 50079327 CHEMBL3416794 Adenosine receptor A2a Homo sapiens 127 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079327&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734359 313073920 CHEMBL3416794 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325267 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3OC)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-6-4-5-7-16(15)38-2/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 OUHCEJLDHLLTDI-CMCWBKRRSA-N 50079326 CHEMBL3416795 Adenosine receptor A2a Homo sapiens 393 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079326&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734360 313073919 CHEMBL3416795 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325268 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)c(Cl)c3)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-15(26)14(25)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 OLGILINEDFSECC-QPXQOZNCSA-N 50079325 CHEMBL3416796 Adenosine receptor A2a Homo sapiens 41 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079325&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734361 313073918 CHEMBL3416796 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327371 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(OC)cc2)c1 InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(33)32(11-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) UAXKZWUMGLHFAO-UHFFFAOYSA-N 50176747 8-(1-((5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200230 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176747&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406570 104062394 CHEMBL200230 ZINC28564158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327425 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1 InChI=1S/C21H23ClN4O2/c1-2-10-28-21(27)17-11-23-20-16(19(17)25-15-8-9-15)12-24-26(20)13-18(22)14-6-4-3-5-7-14/h3-7,11-12,15,18H,2,8-10,13H2,1H3,(H,23,25) WHZALKOISDRHIT-UHFFFAOYSA-N 50176831 CHEMBL376193::propyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1562 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11574851 104062441 CHEMBL376193 ZINC13675475 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327426 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 InChI=1S/C24H23ClN4O2/c1-31-24(30)20-14-27-23-19(22(20)26-13-12-17-8-4-2-5-9-17)15-28-29(23)16-21(25)18-10-6-3-7-11-18/h2-11,14-15,21H,12-13,16H2,1H3,(H,26,27) ZMUFGWSRGANJQR-UHFFFAOYSA-N 50176830 CHEMBL391004::methyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1232 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11611815 104062440 CHEMBL391004 ZINC13675431 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313318 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20) PYBPORWWSICOQW-UHFFFAOYSA-N 50170132 1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL434534 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11209919 104056596 CHEMBL434534 ZINC11687038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313319 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1 InChI=1S/C29H25N5O2/c1-2-17-32-27(35)25-26(34(29(32)36)18-20-9-5-3-6-10-20)31-28-30-24(19-33(25)28)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,19H,2,17-18H2,1H3,(H,30,31) BVGMOOZZMAZRCV-UHFFFAOYSA-N 50170133 1-Benzyl-7-biphenyl-4-yl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL190472 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170133&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11465677 104056597 CHEMBL190472 ZINC13648054 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313323 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 InChI=1S/C24H22N4O2/c1-2-13-26-23(29)21-22(28(24(26)30)15-17-9-5-3-6-10-17)25-20-14-19(16-27(20)21)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3 ULFOXVWHSODZOV-UHFFFAOYSA-N 50170131 1-Benzyl-7-phenyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193100 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11463674 104056595 CHEMBL193100 ZINC13648037 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313332 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1 InChI=1S/C23H27N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,25) FSHOAOFFSOLCBW-UHFFFAOYSA-N 50170129 1-Benzyl-7-cyclohexyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclohexyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191414 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170129&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11774108 104056593 CHEMBL191414 ZINC13648069 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313334 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3 HMQNPUFPJRTPMX-UHFFFAOYSA-N 50170137 1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-methyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL189904 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170137&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11371101 104056601 CHEMBL189904 ZINC13648040 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313335 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1 InChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25) UEXAJGWZPXRZGA-UHFFFAOYSA-N 50170128 1-Benzyl-7-phenyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL435887 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11452333 104056592 CHEMBL435887 ZINC13648049 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313337 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1 InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26) LYKKTUMLNOYVLB-UHFFFAOYSA-N 50170130 1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-fluorophenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL426271 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170130&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11475577 104056594 CHEMBL426271 ZINC13648057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313344 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1 InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22) HQJVISVDMXOQSF-UHFFFAOYSA-N 50170140 1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL364036 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170140&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11394389 104056604 CHEMBL364036 ZINC13648067 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313348 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O InChI=1S/C20H22N4O2/c1-4-10-22-19(25)17-18(21-16-11-13(2)14(3)24(16)17)23(20(22)26)12-15-8-6-5-7-9-15/h5-9,11,14H,4,10,12H2,1-3H3 VDRIWCZLIFRTAN-UHFFFAOYSA-N 50170142 1-Benzyl-6,7-dimethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193130 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170142&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11360082 104056606 CHEMBL193130 ZINC13648047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313350 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3 VRCZHWKFFVQSEO-UHFFFAOYSA-N 50170136 1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL371404 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170136&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11233411 104056600 CHEMBL371404 ZINC13648043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313354 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23) HSXKKRPCNBMEOM-UHFFFAOYSA-N 50170135 1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-tert-butyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191421 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170135&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11153187 104056599 CHEMBL191421 ZINC13648065 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313355 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) AQSASUNPGDTELP-UHFFFAOYSA-N 50170141 1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL372026 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170141&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11175566 104056605 CHEMBL372026 ZINC13648060 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313365 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22) ASWLMOCIKJHRAO-UHFFFAOYSA-N 50170139 1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-isopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188269 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170139&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11428535 104056603 CHEMBL188269 ZINC13648062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313366 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1 InChI=1S/C24H23N5O3/c1-3-13-27-22(30)20-21(29(24(27)31)14-16-7-5-4-6-8-16)26-23-25-19(15-28(20)23)17-9-11-18(32-2)12-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26) MOSPFLQQFAUCCI-UHFFFAOYSA-N 50170143 1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-methoxyphenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL189922 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170143&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11464552 104056607 CHEMBL189922 ZINC13648051 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313368 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21) OQLCMCFQKFYOAN-UHFFFAOYSA-N 50170134 1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188506 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170134&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11348709 104056598 CHEMBL188506 ZINC13648071 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50313370 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(22-19-21-15(5-2)13(3)25(16)19)24(20(23)27)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22) HXRUQROKFKMUEI-UHFFFAOYSA-N 50170138 1-Benzyl-7-ethyl-6-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-6-methyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL373090 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm058008c 10.7270/Q2MC8ZJS 16000006 Baraldi, PG; Preti, D; Tabrizi, MA; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Merighi, S; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170138&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11257069 104056602 CHEMBL373090 ZINC13648074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325331 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)13-3-4-14(25)15(26)11-13/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 CBDPEPRMHBCTEB-QPXQOZNCSA-N 50079324 CHEMBL3414573 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079324 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079324&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734362 313073917 CHEMBL3414573 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325332 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cc(Cl)cc(Cl)c3)nc12 InChI=1S/C24H31Cl2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-3-4-33-5-7-34(8-6-33)15-10-13(25)9-14(26)11-15/h9-12,17-19,23,36-37H,2-8H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 DJUDKDQJDINBSJ-QPXQOZNCSA-N 50079323 CHEMBL3416797 Adenosine receptor A2a Homo sapiens 53 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079323 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079323&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734363 313073916 CHEMBL3416797 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325333 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3cccc(F)c3F)nc12 InChI=1S/C24H31F2N9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-6-7-33-8-10-34(11-9-33)14-5-3-4-13(25)15(14)26/h3-5,12,17-19,23,36-37H,2,6-11H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 RYJFGYAMEOEOBG-QPXQOZNCSA-N 50079322 CHEMBL3416798 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079322 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079322&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734364 313073915 CHEMBL3416798 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325334 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3F)nc12 InChI=1S/C24H31ClFN9O4/c1-2-28-22(38)19-17(36)18(37)23(39-19)35-12-30-16-20(27)31-24(32-21(16)35)29-5-6-33-7-9-34(10-8-33)15-4-3-13(25)11-14(15)26/h3-4,11-12,17-19,23,36-37H,2,5-10H2,1H3,(H,28,38)(H3,27,29,31,32)/t17-,18+,19-,23+/m0/s1 JJWGGTHCGBCFBM-QPXQOZNCSA-N 50079321 CHEMBL3416799 Adenosine receptor A2a Homo sapiens 4.9 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079321 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079321&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734365 313073914 CHEMBL3416799 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325335 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(CC(O)=O)cc3Br)nc12 InChI=1S/C26H34BrN9O6/c1-2-29-24(41)21-19(39)20(40)25(42-21)36-13-31-18-22(28)32-26(33-23(18)36)30-5-6-34-7-9-35(10-8-34)16-4-3-14(11-15(16)27)12-17(37)38/h3-4,11,13,19-21,25,39-40H,2,5-10,12H2,1H3,(H,29,41)(H,37,38)(H3,28,30,32,33)/t19-,20+,21-,25+/m0/s1 OXDQFSDLOJUORN-UGCAPWQASA-N 50079320 CHEMBL3416800 Adenosine receptor A2a Homo sapiens 48 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079320&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734366 313073913 CHEMBL3416800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327430 COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCc1ccccc1 InChI=1S/C23H21ClN4O2/c1-30-23(29)19-13-26-22-18(21(19)25-12-16-8-4-2-5-9-16)14-27-28(22)15-20(24)17-10-6-3-7-11-17/h2-11,13-14,20H,12,15H2,1H3,(H,25,26) JPKVNXGYCSFLGI-UHFFFAOYSA-N 50176819 CHEMBL225026::methyl 4-(benzylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 7574 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11575377 104062429 CHEMBL225026 ZINC13675427 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327434 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NC1CC1 InChI=1S/C21H23ClN4O2/c1-13(2)28-21(27)17-10-23-20-16(19(17)25-15-8-9-15)11-24-26(20)12-18(22)14-6-4-3-5-7-14/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3,(H,23,25) NJHBCELTHBZYPJ-UHFFFAOYSA-N 50176840 CHEMBL224083::isopropyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 7503 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11494993 104062450 CHEMBL224083 ZINC13675497 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327436 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC InChI=1S/C19H21ClN4O2/c1-3-9-21-17-14-11-23-24(12-16(20)13-7-5-4-6-8-13)18(14)22-10-15(17)19(25)26-2/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,21,22) VJKTUFLYYTYXAH-UHFFFAOYSA-N 50176836 CHEMBL225341::methyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 7671 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11646441 104062446 CHEMBL225341 ZINC13675414 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327443 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 InChI=1S/C26H27ClN4O2/c1-2-15-33-26(32)22-16-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)17-30-31(25)18-23(27)20-11-7-4-8-12-20/h3-12,16-17,23H,2,13-15,18H2,1H3,(H,28,29) RNNSPCFXKYKMIN-UHFFFAOYSA-N 50176826 CHEMBL390096::propyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1358 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176826&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11705321 104062436 CHEMBL390096 ZINC13675493 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327461 CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OCCC InChI=1S/C21H25ClN4O2/c1-3-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)28-11-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24) WDOUIWVVHIIBTH-UHFFFAOYSA-N 50176818 CHEMBL223451::propyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1388 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11647009 104062428 CHEMBL223451 ZINC13675479 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327463 CCCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1N1CCCC1 InChI=1S/C22H25ClN4O2/c1-2-12-29-22(28)18-13-24-21-17(20(18)26-10-6-7-11-26)14-25-27(21)15-19(23)16-8-4-3-5-9-16/h3-5,8-9,13-14,19H,2,6-7,10-12,15H2,1H3 VHYRCGIELIZFFK-UHFFFAOYSA-N 50176821 CHEMBL223340::propyl 1-(2-chloro-2-phenylethyl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1988 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11618482 104062431 CHEMBL223340 ZINC13675482 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327464 CC(C)OC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1 InChI=1S/C26H27ClN4O2/c1-18(2)33-26(32)22-15-29-25-21(24(22)28-14-13-19-9-5-3-6-10-19)16-30-31(25)17-23(27)20-11-7-4-8-12-20/h3-12,15-16,18,23H,13-14,17H2,1-2H3,(H,28,29) WZNHLZHFIRHRJX-UHFFFAOYSA-N 50176849 CHEMBL427255::isopropyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Adenosine receptor A2a Homo sapiens 1517 ChEMBL 10.1021/jm050407k 10.7270/Q2N0163Q 16279775 Manetti, F; Schenone, S; Bondavalli, F; Brullo, C; Bruno, O; Ranise, A; Mosti, L; Menozzi, G; Fossa, P; Trincavelli, ML; Martini, C; Martinelli, A; Tintori, C; Botta, M Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176849&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11612367 104062459 CHEMBL427255 ZINC13675516 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323231 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1 KCFSAWYFAYDKQD-QMWPFBOUSA-N 50078423 CHEMBL3414937 Adenosine receptor A2a Homo sapiens 21 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56627882 103970974 CHEMBL3414937 ZINC13557116 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323233 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1 XLNLUOHNKKMJIG-QRIDJOKKSA-N 50078424 CHEMBL3414938 Adenosine receptor A2a Homo sapiens 778 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078424&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732972 103970975 CHEMBL3414938 ZINC13557090 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323239 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/m0/s1 PCCBWJONNFIZJH-FLNNQWSLSA-N 50078425 CHEMBL3414939 Adenosine receptor A2a Homo sapiens 3350 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732973 103970976 CHEMBL3414939 ZINC26485708 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50319950 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1016/j.bmcl.2005.07.052 10.7270/Q24Q7TJV 16153830 Dowling, JE; Vessels, JT; Haque, S; Chang, HX; van Vloten, K; Kumaravel, G; Engber, T; Jin, X; Phadke, D; Wang, J; Ayyub, E; Petter, RC Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323261 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1 DEVAFUMPTPLYOY-BQVMBELUSA-N 50078426 CHEMBL3414940 Adenosine receptor A2a Homo sapiens 93 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078426&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732974 103970977 CHEMBL3414940 ZINC13557146 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323280 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1 IRRXNCFETDOCCQ-AEISUSGSSA-N 50078427 CHEMBL3414941 Adenosine receptor A2a Homo sapiens 62 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078427&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732975 103970978 CHEMBL3414941 ZINC13557124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323302 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12 InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1 VBEDZGFOGYYFAA-VAKQMTRESA-N 50078428 CHEMBL3414942 Adenosine receptor A2a Homo sapiens 65 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078428&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732976 103970979 CHEMBL3414942 ZINC13557104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316842 CCOC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15) KPXWNJGVBKCXKB-UHFFFAOYSA-N 52672 4-keto-7-methyl-1H-1,8-naphthyridine-3-carboxylic acid ethyl ester::7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid ethyl ester::CHEMBL372420::MLS000673271::SMR000314512::cid_5373687::ethyl 7-methyl-4-oxidanylidene-1H-1,8-naphthyridine-3-carboxylate::ethyl 7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate::ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=52672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5373687 252632810 CHEMBL372420 ZINC38153444 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316843 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1 InChI=1S/C17H14FN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) QMAMYFKQVIXZAF-UHFFFAOYSA-N 50171751 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-fluoro-benzylamide::CHEMBL196665 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171751&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403629 104057945 CHEMBL196665 ZINC28524628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316847 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1 InChI=1S/C17H21N3O2/c1-11-7-8-14-16(22)12(10-18-17(14)19-11)9-15(21)20-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9H2,1H3,(H,20,21)(H,18,19,22) WDOGTDLSUBIDBZ-UHFFFAOYSA-N 50171756 CHEMBL198769::N-Cyclohexyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171756&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403549 104057950 CHEMBL198769 ZINC28527045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316849 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1 InChI=1S/C18H17N3O2/c1-11-8-9-14-16(22)15(10-19-17(14)20-11)18(23)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,23)(H,19,20,22) MSQYTUVOQBAORZ-UHFFFAOYSA-N 50171755 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (1-phenyl-ethyl)-amide::CHEMBL383134 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171755&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403644 104057949 CHEMBL383134 ZINC28525677 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316850 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) QRUPNIJLOWMQBO-UHFFFAOYSA-N 50171758 3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL198760 Adenosine receptor A2a Homo sapiens 3330 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171758&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15557795 104057952 CHEMBL198760 ZINC28527026 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316853 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1 InChI=1S/C16H13ClN2O/c1-10-6-7-13-15(20)12(9-18-16(13)19-10)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,18,19,20) TVGXHFOPOIUKGO-UHFFFAOYSA-N 50171760 3-(2-Chloro-benzyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL195357 Adenosine receptor A2a Homo sapiens 980 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171760&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403601 104057954 CHEMBL195357 ZINC28523446 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50319994 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 0.30 ChEMBL 10.1016/j.bmcl.2005.07.052 10.7270/Q24Q7TJV 16153830 Dowling, JE; Vessels, JT; Haque, S; Chang, HX; van Vloten, K; Kumaravel, G; Engber, T; Jin, X; Phadke, D; Wang, J; Ayyub, E; Petter, RC Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323313 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc(Cl)nc12 InChI=1S/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/m1/s1 UQOODWFWVKWKPZ-TXWJGDGWSA-N 50078429 CHEMBL3414943 Adenosine receptor A2a Homo sapiens 164 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078429&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732977 103970980 CHEMBL3414943 ZINC13557093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323324 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 InChI=1S/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/m0/s1 OZWIQLJRUYENLH-BHETVNITSA-N 50078430 CHEMBL3414944 Adenosine receptor A2a Homo sapiens 554 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078430&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732978 103970981 CHEMBL3414944 ZINC13557112 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323331 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 InChI=1S/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/m0/s1 HAPGDXOGTRCUFO-GEVFMYGYSA-N 50078537 CHEMBL3414945 Adenosine receptor A2a Homo sapiens 870 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078537&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732979 313073672 CHEMBL3414945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323333 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1 SLEKQRJDUVSCPY-MOROJQBDSA-N 50078538 CHEMBL3414946 Adenosine receptor A2a Homo sapiens 78 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078538&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732980 313073673 CHEMBL3414946 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323359 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 InChI=1S/C18H16Cl2FN9O3/c1-2-30-27-15(26-28-30)13-11(31)12(32)17(33-13)29-6-22-10-14(24-18(20)25-16(10)29)23-9-4-3-7(19)5-8(9)21/h3-6,11-13,17,31-32H,2H2,1H3,(H,23,24,25)/t11-,12+,13-,17+/m0/s1 HLHAFTISHRHDPF-PFHKOEEOSA-N 50078420 CHEMBL3414947 Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732981 103970971 CHEMBL3414947 ZINC13557132 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50323360 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 InChI=1S/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SXSHOTNATXYYEG-MOROJQBDSA-N 50078421 CHEMBL3414948 Adenosine receptor A2a Homo sapiens 108 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732982 103970972 CHEMBL3414948 ZINC13557150 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314736 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22) OGCQBCHLFMBCCE-UHFFFAOYSA-N 50170816 CHEMBL363419::Cyclohexyl-(2-phenoxy-9H-purin-6-yl)-amine Adenosine receptor A2a Homo sapiens 16000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11771279 104057196 CHEMBL363419 ZINC13648479 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314743 C1CCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H20N6/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)22-17(23-16)21-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H3,18,19,20,21,22,23) FDFMDLSSHFEJOS-UHFFFAOYSA-N 50170822 CHEMBL188592::N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 1700 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170822&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11243768 104057202 CHEMBL188592 ZINC13648454 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314744 CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1 InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25) ADHPIOBOQMGIPQ-UHFFFAOYSA-N 50170823 CHEMBL366216::N*6*-Cyclohexyl-N*2*-(4-dimethylamino-phenyl)-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 6100 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170823&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11302588 104057203 CHEMBL366216 ZINC13648471 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314752 Cn1cnc2c(NC3CCCCC3)nc(Nc3ccccc3)nc12 InChI=1S/C18H22N6/c1-24-12-19-15-16(20-13-8-4-2-5-9-13)22-18(23-17(15)24)21-14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H2,20,21,22,23) ZLDPIMAJOWKRLI-UHFFFAOYSA-N 50170817 CHEMBL188967::N*6*-Cyclohexyl-9-methyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11324734 104057197 CHEMBL188967 ZINC13648488 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314755 C1CCC(CC1)Nc1nc(Sc2ccccc2)nc2nc[nH]c12 InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22) NFXCEGOWTIZWIH-UHFFFAOYSA-N 50170818 CHEMBL191270::Cyclohexyl-(2-phenylsulfanyl-9H-purin-6-yl)-amine Adenosine receptor A2a Homo sapiens 14000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11450197 104057198 CHEMBL191270 ZINC13648485 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314766 C1CCCC(CCC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C19H24N6/c1-2-5-9-14(10-6-3-1)22-18-16-17(21-13-20-16)24-19(25-18)23-15-11-7-4-8-12-15/h4,7-8,11-14H,1-3,5-6,9-10H2,(H3,20,21,22,23,24,25) MSEVQUIRSAPIPS-UHFFFAOYSA-N 50170821 CHEMBL365026::N*6*-Cyclooctyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 46000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11484484 104057201 CHEMBL365026 ZINC13648474 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314772 C1CCCC(CC1)Nc1nc(Nc2ccccc2)nc2nc[nH]c12 InChI=1S/C18H22N6/c1-2-5-9-13(8-4-1)21-17-15-16(20-12-19-15)23-18(24-17)22-14-10-6-3-7-11-14/h3,6-7,10-13H,1-2,4-5,8-9H2,(H3,19,20,21,22,23,24) YDYCGADXGCIRTH-UHFFFAOYSA-N 50170830 CHEMBL187458::N*6*-Cycloheptyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 4120.0 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11738790 104057210 CHEMBL187458 ZINC11688822 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314775 Cn1cnc2c(NC3CCCCCC3)nc(Nc3ccccc3)nc12 InChI=1S/C19H24N6/c1-25-13-20-16-17(21-14-9-5-2-3-6-10-14)23-19(24-18(16)25)22-15-11-7-4-8-12-15/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24) HXXOYJATCRBRHE-UHFFFAOYSA-N 50170826 CHEMBL188958::N*6*-Cycloheptyl-9-methyl-N*2*-phenyl-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 2950 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170826&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11232994 104057206 CHEMBL188958 ZINC13648490 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314777 C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) ZFLJHSQHILSNCM-UHFFFAOYSA-N 50170831 CHEMBL188343::N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine::N6-cyclohexyl-N2-(4-morpholinophenyl)-9H-purine-2,6-diamine::N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 210332 104057211 70723 CHEMBL188343 ZINC03620786 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314779 C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28) TYCRGJHWMDJLCO-UHFFFAOYSA-N 50170827 CHEMBL446698::N*6*-Bicyclo[2.2.1]hept-2-yl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine Adenosine receptor A2a Homo sapiens 39000 ChEMBL 10.1021/jm050221l 10.7270/Q2N58KWZ 16033270 Perreira, M; Jiang, JK; Klutz, AM; Gao, ZG; Shainberg, A; Lu, C; Thomas, CJ; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170827&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44397776 104057207 CHEMBL446698 ZINC28463439 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316856 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(N)cc1 InChI=1S/C17H16N4O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8,18H2,1H3,(H,20,23)(H,19,21,22) QZGMXJAEOXKUSU-UHFFFAOYSA-N 50171764 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-amino-benzylamide::CHEMBL193509 Adenosine receptor A2a Homo sapiens 146 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171764&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403654 104057958 CHEMBL193509 ZINC28524296 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316857 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O3/c1-11-3-8-14-16(22)15(10-19-17(14)21-11)18(23)20-9-12-4-6-13(24-2)7-5-12/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) BCUYZUSIUCGMDQ-UHFFFAOYSA-N 50171763 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide::CHEMBL197359 Adenosine receptor A2a Homo sapiens 740 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403630 104057957 CHEMBL197359 ZINC28524629 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316859 COc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O3/c1-11-3-8-14-16(22)15(10-19-17(14)21-11)18(23)20-9-12-4-6-13(24-2)7-5-12/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) BCUYZUSIUCGMDQ-UHFFFAOYSA-N 50171763 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide::CHEMBL197359 Adenosine receptor A2a Homo sapiens 2405 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403630 104057957 CHEMBL197359 ZINC28524629 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316860 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O2/c1-11-3-6-13(7-4-11)9-20-18(23)15-10-19-17-14(16(15)22)8-5-12(2)21-17/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) CWPSZVWRTWBHKE-UHFFFAOYSA-N 50171766 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methyl-benzylamide::CHEMBL194956 Adenosine receptor A2a Homo sapiens 159 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403635 104057960 CHEMBL194956 ZINC28526518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316863 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N3O2/c1-9(2)6-7-16-15(20)12-8-17-14-11(13(12)19)5-4-10(3)18-14/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19) XPPSZUBTUCEBEE-UHFFFAOYSA-N 50171767 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (3-methyl-butyl)-amide::CHEMBL194860 Adenosine receptor A2a Homo sapiens 640 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403623 104057961 CHEMBL194860 ZINC28526541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316866 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1 InChI=1S/C22H25N3/c1-16-12-13-20-21(25-19-10-6-3-7-11-19)18(15-23-22(20)24-16)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,23,24,25) RHHLBQWOANJNGP-UHFFFAOYSA-N 50171757 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-cyclohexyl-amine::CHEMBL195460 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171757&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403599 104057951 CHEMBL195460 ZINC28523444 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316868 Cc1ccc2c(NC3CCCCC3)c(Cc3ccccc3)cnc2n1 InChI=1S/C22H25N3/c1-16-12-13-20-21(25-19-10-6-3-7-11-19)18(15-23-22(20)24-16)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,19H,3,6-7,10-11,14H2,1H3,(H,23,24,25) RHHLBQWOANJNGP-UHFFFAOYSA-N 50171757 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-cyclohexyl-amine::CHEMBL195460 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171757&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403599 104057951 CHEMBL195460 ZINC28523444 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316872 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C16H14N4O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H3,17,18,20,21) WNFUASCGEDHFRX-UHFFFAOYSA-N 50171769 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL196375 Adenosine receptor A2a Homo sapiens 300 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403556 104057963 CHEMBL196375 ZINC28526139 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316873 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21) MRUDLHYHNREGHO-UHFFFAOYSA-N 50171770 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194331 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403609 104057964 CHEMBL194331 ZINC28523074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316880 CC(NC(=O)c1cnc2nc(C)ccc2c1O)c1ccccc1 InChI=1S/C18H17N3O2/c1-11-8-9-14-16(22)15(10-19-17(14)20-11)18(23)21-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,23)(H,19,20,22) MSQYTUVOQBAORZ-UHFFFAOYSA-N 50171755 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (1-phenyl-ethyl)-amide::CHEMBL383134 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171755&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403644 104057949 CHEMBL383134 ZINC28525677 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316881 Cc1ccc2c(O)c(Cc3ccccc3Cl)cnc2n1 InChI=1S/C16H13ClN2O/c1-10-6-7-13-15(20)12(9-18-16(13)19-10)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3,(H,18,19,20) TVGXHFOPOIUKGO-UHFFFAOYSA-N 50171760 3-(2-Chloro-benzyl)-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL195357 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171760&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403601 104057954 CHEMBL195357 ZINC28523446 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316882 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1 InChI=1S/C18H17N3O2/c1-12-7-8-14-16(22)15(11-20-17(14)21-12)18(23)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,21,22) NOPDFTZVAJQFFF-UHFFFAOYSA-N 50171753 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid phenethyl-amide::CHEMBL371131 Adenosine receptor A2a Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171753&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403636 104057947 CHEMBL371131 ZINC28526519 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316884 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C17H21N3O2/c1-10-3-6-12(7-4-10)20-17(22)14-9-18-16-13(15(14)21)8-5-11(2)19-16/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,20,22)(H,18,19,21) LJEDDMCIFWLERA-UHFFFAOYSA-N 50171754 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-cyclohexyl)-amide::CHEMBL194704 Adenosine receptor A2a Homo sapiens 360 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171754&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403622 104057948 CHEMBL194704 ZINC28526540 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316885 Oc1c(cnc2ncccc12)C(=O)NCc1ccccc1 InChI=1S/C16H13N3O2/c20-14-12-7-4-8-17-15(12)18-10-13(14)16(21)19-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21)(H,17,18,20) GMZBBHDOTINUDJ-UHFFFAOYSA-N 50171776 4-Oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL193766 Adenosine receptor A2a Homo sapiens 1169 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403602 104057970 CHEMBL193766 ZINC28523522 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316887 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1 InChI=1S/C16H19N3O2/c1-10-7-8-12-14(20)13(9-17-15(12)18-10)16(21)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,19,21)(H,17,18,20) UAOHPZFNVPCRPA-UHFFFAOYSA-N 50171777 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclohexylamide::CHEMBL373317 Adenosine receptor A2a Homo sapiens 830 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171777&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403621 104057971 CHEMBL373317 ZINC28526466 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316888 Cc1ccc2c(O)c(cnc2n1)C(=O)NCCc1ccccc1 InChI=1S/C18H17N3O2/c1-12-7-8-14-16(22)15(11-20-17(14)21-12)18(23)19-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,21,22) NOPDFTZVAJQFFF-UHFFFAOYSA-N 50171753 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid phenethyl-amide::CHEMBL371131 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171753&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403636 104057947 CHEMBL371131 ZINC28526519 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316889 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13ClN2/c1-11-7-8-14-15(17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 ZHONSKVMKNREJB-UHFFFAOYSA-N 50171778 6-Benzyl-5-chloro-2-methyl-[1,8]naphthyridine::CHEMBL380586 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403590 104057972 CHEMBL380586 ZINC28526371 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316890 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C16H14N4O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H3,17,18,20,21) WNFUASCGEDHFRX-UHFFFAOYSA-N 50171769 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL196375 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403556 104057963 CHEMBL196375 ZINC28526139 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316893 OCCN(CCO)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C20H22N4O4/c25-10-8-24(9-11-26)17-7-6-15-18(27)16(13-21-19(15)23-17)20(28)22-12-14-4-2-1-3-5-14/h1-7,13,25-26H,8-12H2,(H,22,28)(H,21,23,27) YPOSBFDSHKBNNO-UHFFFAOYSA-N 50171780 7-[Bis-(2-hydroxy-ethyl)-amino]-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194965 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171780&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403596 104057974 CHEMBL194965 ZINC28525975 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316894 Oc1c(cnc2nc(Cl)ccc12)C(=O)NCc1ccccc1 InChI=1S/C16H12ClN3O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H,18,20,21) VNGHXOZGXJAGKH-UHFFFAOYSA-N 50171779 7-Chloro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194539 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171779&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403568 104057973 CHEMBL194539 ZINC28526115 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316895 Cc1ccc2c(Cl)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13ClN2/c1-11-7-8-14-15(17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 ZHONSKVMKNREJB-UHFFFAOYSA-N 50171778 6-Benzyl-5-chloro-2-methyl-[1,8]naphthyridine::CHEMBL380586 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403590 104057972 CHEMBL380586 ZINC28526371 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316896 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N5O2/c1-10-3-4-11-13(21)12(9-16-14(11)17-10)15(22)18-20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,18,22)(H,16,17,21) PFSDRKNZQWWEQU-UHFFFAOYSA-N 50171765 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-piperazin-1-yl)-amide::CHEMBL194756 Adenosine receptor A2a Homo sapiens 1750 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403618 104057959 CHEMBL194756 ZINC28526608 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316897 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H16N4/c1-11-7-8-14-15(20-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9,17H2,1H3,(H,18,19,20) DJJCXLWOUHOPRW-UHFFFAOYSA-N 50171762 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-hydrazine::CHEMBL195356 Adenosine receptor A2a Homo sapiens 720 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403600 104057956 CHEMBL195356 ZINC28523445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316899 Oc1c(cnc2nc(Br)ccc12)C(=O)NCc1ccccc1 InChI=1S/C16H12BrN3O2/c17-13-7-6-11-14(21)12(9-18-15(11)20-13)16(22)19-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H,18,20,21) DQOVJFGLWVQOBQ-UHFFFAOYSA-N 50171781 7-Bromo-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL370883 Adenosine receptor A2a Homo sapiens 3543 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171781&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403569 104057975 CHEMBL370883 ZINC28526116 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316900 CC1CCC(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C17H21N3O2/c1-10-3-6-12(7-4-10)20-17(22)14-9-18-16-13(15(14)21)8-5-11(2)19-16/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,20,22)(H,18,19,21) LJEDDMCIFWLERA-UHFFFAOYSA-N 50171754 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-cyclohexyl)-amide::CHEMBL194704 Adenosine receptor A2a Homo sapiens 390 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171754&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403622 104057948 CHEMBL194704 ZINC28526540 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316902 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) BCPIVBRTJNYLEK-UHFFFAOYSA-N 50171783 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL195522 Adenosine receptor A2a Homo sapiens 150 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171783&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9945283 104057977 CHEMBL195522 ZINC13919119 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316903 Cc1ccc2c(O)c(CC(=O)NC3CCCCC3)cnc2n1 InChI=1S/C17H21N3O2/c1-11-7-8-14-16(22)12(10-18-17(14)19-11)9-15(21)20-13-5-3-2-4-6-13/h7-8,10,13H,2-6,9H2,1H3,(H,20,21)(H,18,19,22) WDOGTDLSUBIDBZ-UHFFFAOYSA-N 50171756 CHEMBL198769::N-Cyclohexyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A2a Homo sapiens 7140.0 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171756&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403549 104057950 CHEMBL198769 ZINC28527045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316904 Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H16N4/c1-11-7-8-14-15(20-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9,17H2,1H3,(H,18,19,20) DJJCXLWOUHOPRW-UHFFFAOYSA-N 50171762 (3-Benzyl-7-methyl-[1,8]naphthyridin-4-yl)-hydrazine::CHEMBL195356 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403600 104057956 CHEMBL195356 ZINC28523445 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316909 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C17H15N3O2/c1-11-7-8-13-15(21)14(10-18-16(13)20-11)17(22)19-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,22)(H,18,20,21) MRUDLHYHNREGHO-UHFFFAOYSA-N 50171770 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194331 Adenosine receptor A2a Homo sapiens 30 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403609 104057964 CHEMBL194331 ZINC28523074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316910 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) BCPIVBRTJNYLEK-UHFFFAOYSA-N 50171783 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL195522 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171783&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9945283 104057977 CHEMBL195522 ZINC13919119 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316912 Cc1ccc2c(O)c(cnc2n1)C(=O)NC1CCCCC1 InChI=1S/C16H19N3O2/c1-10-7-8-12-14(20)13(9-17-15(12)18-10)16(21)19-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,19,21)(H,17,18,20) UAOHPZFNVPCRPA-UHFFFAOYSA-N 50171777 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclohexylamide::CHEMBL373317 Adenosine receptor A2a Homo sapiens 930 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171777&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403621 104057971 CHEMBL373317 ZINC28526466 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316914 Oc1c(cnc2nc(NCCc3ccccc3)ccc12)C(=O)NCc1ccccc1 InChI=1S/C24H22N4O2/c29-22-19-11-12-21(25-14-13-17-7-3-1-4-8-17)28-23(19)26-16-20(22)24(30)27-15-18-9-5-2-6-10-18/h1-12,16H,13-15H2,(H,27,30)(H2,25,26,28,29) NYRZWCQSTPHTJC-UHFFFAOYSA-N 50171772 4-Oxo-7-phenethylamino-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194948 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171772&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403586 104057966 CHEMBL194948 ZINC28526295 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316915 Cc1ccc2c(O)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) QRUPNIJLOWMQBO-UHFFFAOYSA-N 50171758 3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol::CHEMBL198760 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171758&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15557795 104057952 CHEMBL198760 ZINC28527026 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316919 CN1CCN(CC1)NC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N5O2/c1-10-3-4-11-13(21)12(9-16-14(11)17-10)15(22)18-20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,18,22)(H,16,17,21) PFSDRKNZQWWEQU-UHFFFAOYSA-N 50171765 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (4-methyl-piperazin-1-yl)-amide::CHEMBL194756 Adenosine receptor A2a Homo sapiens 2868 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403618 104057959 CHEMBL194756 ZINC28526608 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316921 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1 InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19) YTAXNXDGKHGYIC-UHFFFAOYSA-N 50171759 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (furan-2-ylmethyl)-amide::CHEMBL196138 Adenosine receptor A2a Homo sapiens 35 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171759&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403643 104057953 CHEMBL196138 ZINC28525675 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316923 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1 InChI=1S/C14H16N4O3/c1-9-2-3-10-12(19)11(8-15-13(10)16-9)14(20)17-18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,20)(H,15,16,19) JSMGSYKGVHOBBH-UHFFFAOYSA-N 50171761 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid morpholin-4-ylamide::CHEMBL382107 Adenosine receptor A2a Homo sapiens 8660 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171761&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403611 104057955 CHEMBL382107 ZINC28523167 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316926 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(cc1)[N+]([O-])=O InChI=1S/C17H14N4O4/c1-10-2-7-13-15(22)14(9-18-16(13)20-10)17(23)19-8-11-3-5-12(6-4-11)21(24)25/h2-7,9H,8H2,1H3,(H,19,23)(H,18,20,22) HHAVWYHRLUEVRA-UHFFFAOYSA-N 50171784 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-nitro-benzylamide::CHEMBL194696 Adenosine receptor A2a Homo sapiens 99 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171784&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403649 104057978 CHEMBL194696 ZINC28526479 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316931 Oc1c(cnc2nc(NCc3ccccc3)ccc12)C(=O)NCc1ccccc1 InChI=1S/C23H20N4O2/c28-21-18-11-12-20(24-13-16-7-3-1-4-8-16)27-22(18)25-15-19(21)23(29)26-14-17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,26,29)(H2,24,25,27,28) USYBDHKDWAGJOV-UHFFFAOYSA-N 50171768 7-Benzylamino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL193453 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171768&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403603 104057962 CHEMBL193453 ZINC28524017 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316933 Cc1ccc2c(O)c(cnc2n1)C(=O)OCc1ccccc1 InChI=1S/C17H14N2O3/c1-11-7-8-13-15(20)14(9-18-16(13)19-11)17(21)22-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,20) KMTZBDNNZJPRFA-UHFFFAOYSA-N 50171785 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzyl ester::CHEMBL194330 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171785&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403608 104057979 CHEMBL194330 ZINC28523073 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316935 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c17-10-3-1-9(2-4-10)7-20-16(23)12-8-19-15-11(14(12)22)5-6-13(18)21-15/h1-6,8H,7H2,(H,20,23)(H3,18,19,21,22) TVYCDYDWZLPFMY-UHFFFAOYSA-N 50171771 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL196306 Adenosine receptor A2a Homo sapiens 500 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171771&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403555 104057965 CHEMBL196306 ZINC28526138 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316936 Oc1c(cnc2nc(NC3CCCCC3)ccc12)C(=O)NCc1ccccc1 InChI=1S/C22H24N4O2/c27-20-17-11-12-19(25-16-9-5-2-6-10-16)26-21(17)23-14-18(20)22(28)24-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H,24,28)(H2,23,25,26,27) QZEQWMKPDQWQPF-UHFFFAOYSA-N 50171787 7-Cyclohexylamino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL372045 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171787&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403587 104057981 CHEMBL372045 ZINC28526296 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316937 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1 InChI=1S/C18H17N3O2/c1-12-7-8-15-17(23)14(11-20-18(15)21-12)9-16(22)19-10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23) JOECIIRHZUATDH-UHFFFAOYSA-N 50171774 CHEMBL198874::N-Benzyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A2a Homo sapiens 870 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403550 104057968 CHEMBL198874 ZINC28527047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316939 CC(C)CCNC(=O)c1cnc2nc(C)ccc2c1O InChI=1S/C15H19N3O2/c1-9(2)6-7-16-15(20)12-8-17-14-11(13(12)19)5-4-10(3)18-14/h4-5,8-9H,6-7H2,1-3H3,(H,16,20)(H,17,18,19) XPPSZUBTUCEBEE-UHFFFAOYSA-N 50171767 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (3-methyl-butyl)-amide::CHEMBL194860 Adenosine receptor A2a Homo sapiens 1430 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403623 104057961 CHEMBL194860 ZINC28526541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316940 Cc1ccc2c(O)c(cnc2n1)C(=O)NN1CCOCC1 InChI=1S/C14H16N4O3/c1-9-2-3-10-12(19)11(8-15-13(10)16-9)14(20)17-18-4-6-21-7-5-18/h2-3,8H,4-7H2,1H3,(H,17,20)(H,15,16,19) JSMGSYKGVHOBBH-UHFFFAOYSA-N 50171761 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid morpholin-4-ylamide::CHEMBL382107 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171761&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403611 104057955 CHEMBL382107 ZINC28523167 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316942 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccco1 InChI=1S/C15H13N3O3/c1-9-4-5-11-13(19)12(8-16-14(11)18-9)15(20)17-7-10-3-2-6-21-10/h2-6,8H,7H2,1H3,(H,17,20)(H,16,18,19) YTAXNXDGKHGYIC-UHFFFAOYSA-N 50171759 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (furan-2-ylmethyl)-amide::CHEMBL196138 Adenosine receptor A2a Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171759&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403643 104057953 CHEMBL196138 ZINC28525675 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316945 Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C16H13ClN4O2/c17-10-3-1-9(2-4-10)7-20-16(23)12-8-19-15-11(14(12)22)5-6-13(18)21-15/h1-6,8H,7H2,(H,20,23)(H3,18,19,21,22) TVYCDYDWZLPFMY-UHFFFAOYSA-N 50171771 7-Amino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-chloro-benzylamide::CHEMBL196306 Adenosine receptor A2a Homo sapiens 540 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171771&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403555 104057965 CHEMBL196306 ZINC28526138 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316947 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2S/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) JNNOALSYCGYTDY-UHFFFAOYSA-N 50171749 3-Benzyl-7-methyl-[1,8]naphthyridine-4-thiol::CHEMBL427178 Adenosine receptor A2a Homo sapiens 9140.0 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171749&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403594 104057943 CHEMBL427178 ZINC28525973 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316948 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(F)cc1 InChI=1S/C17H14FN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22) QMAMYFKQVIXZAF-UHFFFAOYSA-N 50171751 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-fluoro-benzylamide::CHEMBL196665 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171751&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403629 104057945 CHEMBL196665 ZINC28524628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316950 CC(=O)N(C(C)=O)c1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C21H20N4O4/c1-12-4-9-17-19(28)18(11-22-20(17)24-12)21(29)23-10-15-5-7-16(8-6-15)25(13(2)26)14(3)27/h4-9,11H,10H2,1-3H3,(H,23,29)(H,22,24,28) UINJTCGTOJIYTL-UHFFFAOYSA-N 50171752 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-diacetylamino-benzylamide::CHEMBL194457 Adenosine receptor A2a Homo sapiens 1644 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171752&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403660 104057946 CHEMBL194457 ZINC28526598 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316952 CC(=O)Nc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C18H16N4O3/c1-11(23)21-15-8-7-13-16(24)14(10-19-17(13)22-15)18(25)20-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,21,22,23,24) LAHRBSNIYBRZLJ-UHFFFAOYSA-N 50171786 7-Acetylamino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL197030 Adenosine receptor A2a Homo sapiens 6780 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171786&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403562 104057980 CHEMBL197030 ZINC28525243 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316953 Oc1c(cnc2[nH]c(=O)ccc12)C(=O)NCc1ccccc1 InChI=1S/C16H13N3O3/c20-13-7-6-11-14(21)12(9-17-15(11)19-13)16(22)18-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,22)(H2,17,19,20,21) DWGQFJRSIFPKJS-UHFFFAOYSA-N 50171788 7-Hydroxy-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL196569 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171788&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403563 104057982 CHEMBL196569 ZINC28525352 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316956 Cc1ccc2c(S)c(Cc3ccccc3)cnc2n1 InChI=1S/C16H14N2S/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19) JNNOALSYCGYTDY-UHFFFAOYSA-N 50171749 3-Benzyl-7-methyl-[1,8]naphthyridine-4-thiol::CHEMBL427178 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171749&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403594 104057943 CHEMBL427178 ZINC28525973 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316957 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13N5/c1-11-7-8-14-15(20-21-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 GFTOIPQCHLKALF-UHFFFAOYSA-N 50171773 5-Azido-6-benzyl-2-methyl-[1,8]naphthyridine::CHEMBL194401 Adenosine receptor A2a Homo sapiens 3360 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171773&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403591 104057967 CHEMBL194401 ZINC28526372 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316959 Cc1ccc2c(O)c(cnc2n1)C(=O)NCc1ccc(NC(=O)c2ccccc2)cc1 InChI=1S/C24H20N4O3/c1-15-7-12-19-21(29)20(14-25-22(19)27-15)24(31)26-13-16-8-10-18(11-9-16)28-23(30)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,26,31)(H,28,30)(H,25,27,29) WSOLOFVPWSPKSR-UHFFFAOYSA-N 50171775 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-benzoylamino-benzylamide::CHEMBL263819 Adenosine receptor A2a Homo sapiens 588 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403661 104057969 CHEMBL263819 ZINC28526599 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316962 CN(C)c1ccc2c(O)c(cnc2n1)C(=O)NCc1ccccc1 InChI=1S/C18H18N4O2/c1-22(2)15-9-8-13-16(23)14(11-19-17(13)21-15)18(24)20-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,20,24)(H,19,21,23) ZPFVOJKWFWIWKI-UHFFFAOYSA-N 50171782 7-Dimethylamino-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid benzylamide::CHEMBL194452 Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171782&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403595 104057976 CHEMBL194452 ZINC28525974 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316963 Cc1ccc2c(O)c(CC(=O)NCc3ccccc3)cnc2n1 InChI=1S/C18H17N3O2/c1-12-7-8-15-17(23)14(11-20-18(15)21-12)9-16(22)19-10-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23) JOECIIRHZUATDH-UHFFFAOYSA-N 50171774 CHEMBL198874::N-Benzyl-2-(7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridin-3-yl)-acetamide Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403550 104057968 CHEMBL198874 ZINC28527047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316965 Cc1ccc2c(N=[N+]=[N-])c(Cc3ccccc3)cnc2n1 InChI=1S/C16H13N5/c1-11-7-8-14-15(20-21-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 GFTOIPQCHLKALF-UHFFFAOYSA-N 50171773 5-Azido-6-benzyl-2-methyl-[1,8]naphthyridine::CHEMBL194401 Adenosine receptor A2a Homo sapiens 5360 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171773&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403591 104057967 CHEMBL194401 ZINC28526372 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50316967 Cc1ccc(CNC(=O)c2cnc3nc(C)ccc3c2O)cc1 InChI=1S/C18H17N3O2/c1-11-3-6-13(7-4-11)9-20-18(23)15-10-19-17-14(16(15)22)8-5-12(2)21-17/h3-8,10H,9H2,1-2H3,(H,20,23)(H,19,21,22) CWPSZVWRTWBHKE-UHFFFAOYSA-N 50171766 7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methyl-benzylamide::CHEMBL194956 Adenosine receptor A2a Homo sapiens 185 ChEMBL 10.1016/j.bmcl.2005.06.064 10.7270/Q2QV3M1S 16099648 Manera, C; Betti, L; Cavallini, T; Giannaccini, G; Martinelli, A; Ortore, G; Saccomanni, G; Trincavelli, L; Tuccinardi, T; Ferrarini, PL Dipartimento di Scienze Farmaceutiche http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44403635 104057960 CHEMBL194956 ZINC28526518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315021 Cc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21) XQEYFHATXLFKKX-UHFFFAOYSA-N 50170941 2-p-Tolyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL188035 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170941&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11311894 104057266 CHEMBL188035 ZINC13648688 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315022 c1n(nc2c1cnc1ccccc21)-c1ccccc1 InChI=1S/C16H11N3/c1-2-6-13(7-3-1)19-11-12-10-17-15-9-5-4-8-14(15)16(12)18-19/h1-11H GUVLEBBZKMQLIY-UHFFFAOYSA-N 50170942 2-Phenyl-2H-pyrazolo[4,3-c]quinoline::CHEMBL190111 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170942&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11470612 104057267 CHEMBL190111 ZINC13648697 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315027 COc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-16(19-20)13-4-2-3-5-15(13)18-17(14)21/h2-10H,1H3,(H,18,21) CNHTZPNBXUMLLT-UHFFFAOYSA-N 50170946 2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL363150 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170946&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11426320 104057271 CHEMBL363150 ZINC13648690 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315028 S=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C16H11N3S/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20) GPZDEXVCMNVCGO-UHFFFAOYSA-N 50170947 2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinoline-4-thione::CHEMBL187842 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170947&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11219651 104057272 CHEMBL187842 ZINC13648703 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315030 Clc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21) BPQNNNJTAPOCKJ-UHFFFAOYSA-N 50170948 2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL364786 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170948&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11243398 104057273 CHEMBL364786 ZINC13648686 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315036 COc1nc2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C17H13N3O/c1-21-17-14-11-20(12-7-3-2-4-8-12)19-16(14)13-9-5-6-10-15(13)18-17/h2-11H,1H3 LBRDTSFKAURCRO-UHFFFAOYSA-N 50170950 4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline::CHEMBL188052 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170950&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11196622 104057275 CHEMBL188052 ZINC13648701 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315040 C(Nc1nc2ccccc2c2nn(cc12)-c1ccccc1)c1ccccc1 InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-20-16-27(18-11-5-2-6-12-18)26-22(20)19-13-7-8-14-21(19)25-23/h1-14,16H,15H2,(H,24,25) OWFJXVRKRPLGNW-UHFFFAOYSA-N 50170943 Benzyl-(2-phenyl-2H-pyrazolo[4,3-c]quinolin-4-yl)-amine::CHEMBL190612 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170943&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11233413 104057268 CHEMBL190612 ZINC13648699 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315044 CCc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C18H15N3O/c1-2-12-7-9-13(10-8-12)21-11-15-17(20-21)14-5-3-4-6-16(14)19-18(15)22/h3-11H,2H2,1H3,(H,19,22) OPFOVCZHKRQWQG-UHFFFAOYSA-N 50170945 2-(4-Ethyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL188436 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170945&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11380704 104057270 CHEMBL188436 ZINC13648696 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315056 O=c1[nH]c2ccccc2c2nn(cc12)-c1ccccc1 InChI=1S/C16H11N3O/c20-16-13-10-19(11-6-2-1-3-7-11)18-15(13)12-8-4-5-9-14(12)17-16/h1-10H,(H,17,20) MLKWAMMFYQAITL-UHFFFAOYSA-N 50170944 2-Phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL364319 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170944&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11414315 104057269 CHEMBL364319 ZINC13648684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315063 Fc1ccc(cc1)-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21) XFSGUADXNUJUFE-UHFFFAOYSA-N 50170949 2-(4-Fluoro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL363516 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170949&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11150155 104057274 CHEMBL363516 ZINC13648692 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50315067 Clc1ccccc1-n1cc2c(n1)c1ccccc1[nH]c2=O InChI=1S/C16H10ClN3O/c17-12-6-2-4-8-14(12)20-9-11-15(19-20)10-5-1-3-7-13(10)18-16(11)21/h1-9H,(H,18,21) SOCZDGNLSOOGLD-UHFFFAOYSA-N 50170951 2-(2-Chloro-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one::CHEMBL187766 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm050125k 10.7270/Q24749DW 16033279 Baraldi, PG; Tabrizi, MA; Preti, D; Bovero, A; Fruttarolo, F; Romagnoli, R; Zaid, NA; Moorman, AR; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170951&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11289440 104057276 CHEMBL187766 ZINC13648694 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324920 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(I)cc3)nc12 InChI=1S/C24H32IN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 IKLBWPAQQVFTEQ-QPXQOZNCSA-N 50079271 CHEMBL3416782 Adenosine receptor A2a Homo sapiens 92 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079271&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734347 103971582 CHEMBL3416782 ZINC38145309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324921 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Br)cc3)nc12 InChI=1S/C24H32BrN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 XOSDFDDQMHOETR-QPXQOZNCSA-N 50079272 CHEMBL3416781 Adenosine receptor A2a Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079272&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734346 103971583 CHEMBL3416781 ZINC26719844 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324922 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(Cl)cc3)nc12 InChI=1S/C24H32ClN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 PZLZIKJDRCOOML-QPXQOZNCSA-N 50079273 CHEMBL3416780 Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079273&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734345 313073912 CHEMBL3416780 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324923 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(F)cc3)nc12 InChI=1S/C24H32FN9O4/c1-2-27-22(37)19-17(35)18(36)23(38-19)34-13-29-16-20(26)30-24(31-21(16)34)28-7-8-32-9-11-33(12-10-32)15-5-3-14(25)4-6-15/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,27,37)(H3,26,28,30,31)/t17-,18+,19-,23+/m0/s1 UUSVRSTYDYSXBA-QPXQOZNCSA-N 50079293 CHEMBL3416779 Adenosine receptor A2a Homo sapiens 98 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079293&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734344 103971603 CHEMBL3416779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324924 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50324925 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 8.4 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50328150 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314098 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H23N5O3/c1-2-32-23(31)21-19-16-29(14-13-17-9-5-3-6-10-17)28-22(19)27-24(26-21)25-20(30)15-18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3,(H,25,27,28,30) PHOWAELZHWRVOO-UHFFFAOYSA-N 50072921 CHEMBL3410324 Adenosine receptor A2a Homo sapiens 2400 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072921&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732309 313072704 CHEMBL3410324 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314099 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CC(C)(C)C)cc12 InChI=1S/C21H25N5O3/c1-5-29-19(28)17-15-12-26(13-21(2,3)4)25-18(15)24-20(23-17)22-16(27)11-14-9-7-6-8-10-14/h6-10,12H,5,11,13H2,1-4H3,(H,22,24,25,27) AXPXRNSBQIHZMC-UHFFFAOYSA-N 50072922 CHEMBL3407529 Adenosine receptor A2a Homo sapiens 5700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072922&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732308 313072705 CHEMBL3407529 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314100 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(cc12)C(C)C InChI=1S/C19H21N5O3/c1-4-27-18(26)16-14-11-24(12(2)3)23-17(14)22-19(21-16)20-15(25)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,20,22,23,25) FLHSYICCYQGDKC-UHFFFAOYSA-N 50072923 CHEMBL3410323 Adenosine receptor A2a Homo sapiens 8800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072923&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732307 313072706 CHEMBL3410323 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314101 CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(C)cc12 InChI=1S/C17H17N5O3/c1-3-25-16(24)14-12-10-22(2)21-15(12)20-17(19-14)18-13(23)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,18,20,21,23) CBIKXNIYOMAPLP-UHFFFAOYSA-N 50072924 CHEMBL3410322 Adenosine receptor A2a Homo sapiens 7300 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072924&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732306 313072707 CHEMBL3410322 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314102 CCOC(=O)c1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C30H25N5O4/c1-2-39-29(38)25-24-20-34(19-18-21-12-6-3-7-13-21)33-26(24)32-30(31-25)35(27(36)22-14-8-4-9-15-22)28(37)23-16-10-5-11-17-23/h3-17,20H,2,18-19H2,1H3 BVRMDLWLOZEBBY-UHFFFAOYSA-N 50072925 CHEMBL3410321 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072925&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732305 313072708 CHEMBL3410321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314103 CCOC(=O)c1nc(nc2nn(cc12)C(C)C)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C25H23N5O4/c1-4-34-24(33)20-19-15-29(16(2)3)28-21(19)27-25(26-20)30(22(31)17-11-7-5-8-12-17)23(32)18-13-9-6-10-14-18/h5-16H,4H2,1-3H3 SOXQZCFEPUSJJH-UHFFFAOYSA-N 50072926 CHEMBL3410320 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072926&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732304 313072709 CHEMBL3410320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314104 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(F)c1 InChI=1S/C23H15F4N5O4/c1-3-36-22(35)18-13-10-31(2)30-19(13)29-23(28-18)32(20(33)11-4-6-14(24)16(26)8-11)21(34)12-5-7-15(25)17(27)9-12/h4-10H,3H2,1-2H3 ADGRDHUYXHCLRB-UHFFFAOYSA-N 50072927 CHEMBL3410319 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072927&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732303 313072710 CHEMBL3410319 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314105 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 InChI=1S/C23H17Br2N5O4/c1-3-34-22(33)18-17-12-29(2)28-19(17)27-23(26-18)30(20(31)13-4-8-15(24)9-5-13)21(32)14-6-10-16(25)11-7-14/h4-12H,3H2,1-2H3 CHJWVVPHWBGCQC-UHFFFAOYSA-N 50072928 CHEMBL3410318 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072928&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732302 313072711 CHEMBL3410318 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314106 CCOC(=O)c1nc(nc2nn(C)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C23H19N5O4/c1-3-32-22(31)18-17-14-27(2)26-19(17)25-23(24-18)28(20(29)15-10-6-4-7-11-15)21(30)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3 BOYCMKKNTHYKDC-UHFFFAOYSA-N 50072929 CHEMBL3410317 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072929&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732301 313072712 CHEMBL3410317 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314107 CCOC(=O)c1nc(NC(=O)c2ccc(Cl)c(Cl)c2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H19Cl2N5O3/c1-2-33-22(32)19-16-13-30(11-10-14-6-4-3-5-7-14)29-20(16)27-23(26-19)28-21(31)15-8-9-17(24)18(25)12-15/h3-9,12-13H,2,10-11H2,1H3,(H,27,28,29,31) BRUPAVPYJVJQSG-UHFFFAOYSA-N 50072930 CHEMBL3410316 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072930&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732300 313072713 CHEMBL3410316 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314108 CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H20BrN5O3/c1-2-32-22(31)19-18-14-29(13-12-15-6-4-3-5-7-15)28-20(18)26-23(25-19)27-21(30)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,26,27,28,30) QBYMRAMFCKTLGT-UHFFFAOYSA-N 50072931 CHEMBL3410315 Adenosine receptor A2a Homo sapiens 4200 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072931&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732299 313072714 CHEMBL3410315 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314109 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H23N5O3/c1-3-32-23(31)20-19-15-29(14-13-17-7-5-4-6-8-17)28-21(19)26-24(25-20)27-22(30)18-11-9-16(2)10-12-18/h4-12,15H,3,13-14H2,1-2H3,(H,26,27,28,30) MBWUIIRHOAOLNU-UHFFFAOYSA-N 50072932 CHEMBL3410314 Adenosine receptor A2a Homo sapiens 6000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072932&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732298 313072715 CHEMBL3410314 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314110 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(CCc3ccccc3)cc12 InChI=1S/C24H20F3N5O3/c1-2-35-22(34)19-18-14-32(13-12-15-6-4-3-5-7-15)31-20(18)29-23(28-19)30-21(33)16-8-10-17(11-9-16)24(25,26)27/h3-11,14H,2,12-13H2,1H3,(H,29,30,31,33) RMRWXGUDLHYZCL-UHFFFAOYSA-N 50072933 CHEMBL3410313 Adenosine receptor A2a Homo sapiens 7500 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072933&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732297 313072716 CHEMBL3410313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50328156 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50328151 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N(C)C InChI=1S/C21H26IN7O4/c1-27(2)19(32)16-14(30)15(31)20(33-16)29-10-24-13-17(25-21(28(3)4)26-18(13)29)23-9-11-6-5-7-12(22)8-11/h5-8,10,14-16,20,30-31H,9H2,1-4H3,(H,23,25,26)/t14-,15+,16-,20+/m0/s1 PIOUTPFGYJJVOD-KSVNGYGVSA-N 50177308 (2S,3S,4R,5R)-5-[2-dimethylamino-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid dimethylamide::CHEMBL425581 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2005.10.054 10.7270/Q2BG2NJB 16289820 Gao, ZG; Joshi, BV; Klutz, AM; Kim, SK; Lee, HW; Kim, HO; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177308&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44407518 104062776 CHEMBL425581 ZINC28568661 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314174 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H20FN5O3/c1-2-32-22(31)19-18-14-29(13-12-15-6-4-3-5-7-15)28-20(18)26-23(25-19)27-21(30)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,26,27,28,30) KQSCJZWDLXEZDH-UHFFFAOYSA-N 50072945 CHEMBL3410312 Adenosine receptor A2a Homo sapiens 6100 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072945&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732296 313072728 CHEMBL3410312 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314175 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(CCc3ccccc3)cc12 InChI=1S/C23H21N5O3/c1-2-31-22(30)19-18-15-28(14-13-16-9-5-3-6-10-16)27-20(18)25-23(24-19)26-21(29)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,25,26,27,29) ZMXALNKHFSUKBU-UHFFFAOYSA-N 50072944 CHEMBL3410311 Adenosine receptor A2a Homo sapiens 3700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072944&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732295 313072727 CHEMBL3410311 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314176 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(CC(C)(C)C)cc12 InChI=1S/C20H22FN5O3/c1-5-29-18(28)15-14-10-26(11-20(2,3)4)25-16(14)23-19(22-15)24-17(27)12-6-8-13(21)9-7-12/h6-10H,5,11H2,1-4H3,(H,23,24,25,27) AOHCYMLALZJVBO-UHFFFAOYSA-N 50072943 CHEMBL3410310 Adenosine receptor A2a Homo sapiens 5700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072943&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732294 313072726 CHEMBL3410310 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314177 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(cc12)C(C)C InChI=1S/C19H21N5O3/c1-5-27-18(26)15-14-10-24(11(2)3)23-16(14)21-19(20-15)22-17(25)13-8-6-12(4)7-9-13/h6-11H,5H2,1-4H3,(H,21,22,23,25) AISSNBLVMLYLSU-UHFFFAOYSA-N 50072942 CHEMBL3410309 Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072942&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732293 313072725 CHEMBL3410309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314178 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(cc12)C(C)C InChI=1S/C19H18F3N5O3/c1-4-30-17(29)14-13-9-27(10(2)3)26-15(13)24-18(23-14)25-16(28)11-5-7-12(8-6-11)19(20,21)22/h5-10H,4H2,1-3H3,(H,24,25,26,28) DAPFYERABRZDPB-UHFFFAOYSA-N 50072941 CHEMBL3410308 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072941&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732292 313072724 CHEMBL3410308 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314179 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(cc12)C(C)C InChI=1S/C18H18FN5O3/c1-4-27-17(26)14-13-9-24(10(2)3)23-15(13)21-18(20-14)22-16(25)11-5-7-12(19)8-6-11/h5-10H,4H2,1-3H3,(H,21,22,23,25) ZXGTVMAAMPCTLC-UHFFFAOYSA-N 50072940 CHEMBL3410307 Adenosine receptor A2a Homo sapiens 2800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072940&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732291 313072723 CHEMBL3410307 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314180 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(cc12)C(C)C InChI=1S/C18H19N5O3/c1-4-26-17(25)14-13-10-23(11(2)3)22-15(13)20-18(19-14)21-16(24)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,20,21,22,24) GLPSECISKLWDKC-UHFFFAOYSA-N 50072939 CHEMBL3410306 Adenosine receptor A2a Homo sapiens 3300 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072939&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732290 313072722 CHEMBL3410306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314181 CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(C)cc12 InChI=1S/C17H17N5O3/c1-4-25-16(24)13-12-9-22(3)21-14(12)19-17(18-13)20-15(23)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3,(H,19,20,21,23) VUAMPWLAFDHKGW-UHFFFAOYSA-N 50072938 CHEMBL3410305 Adenosine receptor A2a Homo sapiens 11800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072938&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732289 313072721 CHEMBL3410305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314182 CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(C)cc12 InChI=1S/C17H14F3N5O3/c1-3-28-15(27)12-11-8-25(2)24-13(11)22-16(21-12)23-14(26)9-4-6-10(7-5-9)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,23,24,26) CTTSAMREDVDOSI-UHFFFAOYSA-N 50072937 CHEMBL3410304 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072937&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732288 313072720 CHEMBL3410304 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314183 CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2)nc2nn(C)cc12 InChI=1S/C16H14FN5O3/c1-3-25-15(24)12-11-8-22(2)21-13(11)19-16(18-12)20-14(23)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,19,20,21,23) DHKBACQAIALRLB-UHFFFAOYSA-N 50072936 CHEMBL3410303 Adenosine receptor A2a Homo sapiens 11500 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072936&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732287 313072719 CHEMBL3410303 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314184 CCOC(=O)c1nc(NC(=O)c2ccccc2)nc2nn(C)cc12 InChI=1S/C16H15N5O3/c1-3-24-15(23)12-11-9-21(2)20-13(11)18-16(17-12)19-14(22)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,18,19,20,22) KDWOXEFIHWAUCY-UHFFFAOYSA-N 50072935 CHEMBL3410302 Adenosine receptor A2a Homo sapiens 16100 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072935&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732286 313072718 CHEMBL3410302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314185 CCOC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 InChI=1S/C16H17N5O2/c1-2-23-15(22)13-12-10-21(20-14(12)19-16(17)18-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20) RQLOGUYSNDTKSC-UHFFFAOYSA-N 50072934 CHEMBL3410301 Adenosine receptor A2a Homo sapiens 4800 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732285 313072717 CHEMBL3410301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314186 CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12 InChI=1S/C13H19N5O2/c1-5-20-11(19)9-8-6-18(7-13(2,3)4)17-10(8)16-12(14)15-9/h6H,5,7H2,1-4H3,(H2,14,16,17) XHQGCSWKZBZAKF-UHFFFAOYSA-N 50072914 CHEMBL3410300 Adenosine receptor A2a Homo sapiens 5000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072914&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732284 313072697 CHEMBL3410300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314187 CCOC(=O)c1nc(N)nc2nn(cc12)C(C)C InChI=1S/C11H15N5O2/c1-4-18-10(17)8-7-5-16(6(2)3)15-9(7)14-11(12)13-8/h5-6H,4H2,1-3H3,(H2,12,14,15) BCFHRMXGMCOZQX-UHFFFAOYSA-N 50072915 CHEMBL3410299 Adenosine receptor A2a Homo sapiens 2600 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072915&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732283 313072698 CHEMBL3410299 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314188 CCOC(=O)c1nc(N)nc2nn(C)cc12 InChI=1S/C9H11N5O2/c1-3-16-8(15)6-5-4-14(2)13-7(5)12-9(10)11-6/h4H,3H2,1-2H3,(H2,10,12,13) NZZYUVRHXWKSFB-UHFFFAOYSA-N 50072916 CHEMBL3410298 Adenosine receptor A2a Homo sapiens 2000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072916&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732282 313072699 CHEMBL3410298 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314189 NC(=O)c1nc(N)nc2nn(CCc3ccccc3)cc12 InChI=1S/C14H14N6O/c15-12(21)11-10-8-20(19-13(10)18-14(16)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19) XHQCEONSIXZRNZ-UHFFFAOYSA-N 50072917 CHEMBL3410297 Adenosine receptor A2a Homo sapiens 15700 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072917&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732281 313072700 CHEMBL3410297 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314190 CC(C)(C)Cn1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C11H16N6O/c1-11(2,3)5-17-4-6-7(8(12)18)14-10(13)15-9(6)16-17/h4H,5H2,1-3H3,(H2,12,18)(H2,13,15,16) YGMQDUZRDGVRKY-UHFFFAOYSA-N 50072918 CHEMBL3410296 Adenosine receptor A2a Homo sapiens >80000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072918&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732280 313072701 CHEMBL3410296 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314191 CC(C)n1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C9H12N6O/c1-4(2)15-3-5-6(7(10)16)12-9(11)13-8(5)14-15/h3-4H,1-2H3,(H2,10,16)(H2,11,13,14) RAVXYIJUKCPXFE-UHFFFAOYSA-N 50072919 CHEMBL3410295 Adenosine receptor A2a Homo sapiens 9200 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072919&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732279 313072702 CHEMBL3410295 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50314192 Cn1cc2c(nc(N)nc2n1)C(N)=O InChI=1S/C7H8N6O/c1-13-2-3-4(5(8)14)10-7(9)11-6(3)12-13/h2H,1H3,(H2,8,14)(H2,9,11,12) QQMHEWIMZJDRPV-UHFFFAOYSA-N 50072920 CHEMBL3410294 Adenosine receptor A2a Homo sapiens 3000 ChEMBL 10.1016/j.ejmech.2015.01.046 10.7270/Q2251KVK 25633494 Venkatesan, G; Paira, P; Cheong, SL; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50072920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50072920&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732278 313072703 CHEMBL3410294 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325069 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccccc1 InChI=1S/C22H28N8O4/c1-2-24-20(33)17-15(31)16(32)21(34-17)30-12-25-14-18(23)26-22(27-19(14)30)29-10-8-28(9-11-29)13-6-4-3-5-7-13/h3-7,12,15-17,21,31-32H,2,8-11H2,1H3,(H,24,33)(H2,23,26,27)/t15-,16+,17-,21+/m0/s1 VOMVVKGMVNIXGH-GRXQJBFDSA-N 50079345 CHEMBL3416801 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079345&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734367 313073936 CHEMBL3416801 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325070 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(F)cc1 InChI=1S/C22H27FN8O4/c1-2-25-20(34)17-15(32)16(33)21(35-17)31-11-26-14-18(24)27-22(28-19(14)31)30-9-7-29(8-10-30)13-5-3-12(23)4-6-13/h3-6,11,15-17,21,32-33H,2,7-10H2,1H3,(H,25,34)(H2,24,27,28)/t15-,16+,17-,21+/m0/s1 QZSNGWNKFCNGLP-GRXQJBFDSA-N 50079346 CHEMBL3416802 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079346&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734368 313073937 CHEMBL3416802 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325071 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OC)cc1 InChI=1S/C23H30N8O5/c1-3-25-21(34)18-16(32)17(33)22(36-18)31-12-26-15-19(24)27-23(28-20(15)31)30-10-8-29(9-11-30)13-4-6-14(35-2)7-5-13/h4-7,12,16-18,22,32-33H,3,8-11H2,1-2H3,(H,25,34)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1 LVFIZODFBSVCOC-RQXXJAGISA-N 50079347 CHEMBL3416803 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079347&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734369 313073938 CHEMBL3416803 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325072 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCOC)cc1 InChI=1S/C25H34N8O6/c1-3-27-23(36)20-18(34)19(35)24(39-20)33-14-28-17-21(26)29-25(30-22(17)33)32-10-8-31(9-11-32)15-4-6-16(7-5-15)38-13-12-37-2/h4-7,14,18-20,24,34-35H,3,8-13H2,1-2H3,(H,27,36)(H2,26,29,30)/t18-,19+,20-,24+/m0/s1 DHSVSNGIGFVEQT-CMCWBKRRSA-N 50079348 CHEMBL3416804 Adenosine receptor A2a Homo sapiens 682 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079348&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734370 313073939 CHEMBL3416804 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325073 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccccc2)cc1 InChI=1S/C29H34N8O5/c1-2-31-27(40)24-22(38)23(39)28(42-24)37-17-32-21-25(30)33-29(34-26(21)37)36-14-12-35(13-15-36)19-8-10-20(11-9-19)41-16-18-6-4-3-5-7-18/h3-11,17,22-24,28,38-39H,2,12-16H2,1H3,(H,31,40)(H2,30,33,34)/t22-,23+,24-,28+/m0/s1 BMVQYTBZDSZAEL-NLJXWPIHSA-N 50079349 CHEMBL3416805 Adenosine receptor A2a Homo sapiens 745 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079349&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734371 313073940 CHEMBL3416805 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325074 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(Cl)cc2)cc1 InChI=1S/C29H33ClN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 MUNVDVWWEQGHID-NLJXWPIHSA-N 50079350 CHEMBL3416806 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079350&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734372 313073941 CHEMBL3416806 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325075 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(F)cc2)cc1 InChI=1S/C29H33FN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 GESPVKNCXDLKEW-NLJXWPIHSA-N 50079351 CHEMBL3416807 Adenosine receptor A2a Homo sapiens 235 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079351&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734373 313073942 CHEMBL3416807 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325076 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C30H33F3N8O5/c1-2-35-27(44)24-22(42)23(43)28(46-24)41-16-36-21-25(34)37-29(38-26(21)41)40-13-11-39(12-14-40)19-7-9-20(10-8-19)45-15-17-3-5-18(6-4-17)30(31,32)33/h3-10,16,22-24,28,42-43H,2,11-15H2,1H3,(H,35,44)(H2,34,37,38)/t22-,23+,24-,28+/m0/s1 FKJZJHHCFXKNFO-NLJXWPIHSA-N 50079352 CHEMBL3416808 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079352&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734374 313073943 CHEMBL3416808 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325077 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccncc2)cc1 InChI=1S/C28H33N9O5/c1-2-31-26(40)23-21(38)22(39)27(42-23)37-16-32-20-24(29)33-28(34-25(20)37)36-13-11-35(12-14-36)18-3-5-19(6-4-18)41-15-17-7-9-30-10-8-17/h3-10,16,21-23,27,38-39H,2,11-15H2,1H3,(H,31,40)(H2,29,33,34)/t21-,22+,23-,27+/m0/s1 KRSDSGUJIIYWTO-NBCVKUGOSA-N 50079353 CHEMBL3416809 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079353&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734375 313073944 CHEMBL3416809 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325078 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCCc2ccccc2)cc1 InChI=1S/C31H38N8O5/c1-2-33-29(42)26-24(40)25(41)30(44-26)39-19-34-23-27(32)35-31(36-28(23)39)38-16-14-37(15-17-38)21-10-12-22(13-11-21)43-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19,24-26,30,40-41H,2,6,9,14-18H2,1H3,(H,33,42)(H2,32,35,36)/t24-,25+,26-,30+/m0/s1 GDLSEFIWYFWPFI-YRIIQKNPSA-N 50079354 CHEMBL3416810 Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079354&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734376 313073945 CHEMBL3416810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325079 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCC(=O)OCC)cc1 InChI=1S/C26H34N8O7/c1-3-28-24(38)21-19(36)20(37)25(41-21)34-14-29-18-22(27)30-26(31-23(18)34)33-11-9-32(10-12-33)15-5-7-16(8-6-15)40-13-17(35)39-4-2/h5-8,14,19-21,25,36-37H,3-4,9-13H2,1-2H3,(H,28,38)(H2,27,30,31)/t19-,20+,21-,25+/m0/s1 GATMPFQLRGDCAR-UGCAPWQASA-N 50079355 CHEMBL3416811 Adenosine receptor A2a Homo sapiens 52 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079355&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734377 313073946 CHEMBL3416811 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325080 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccccc1 InChI=1S/C22H28N8O4/c1-2-24-20(33)17-15(31)16(32)21(34-17)30-12-25-14-18(23)26-22(27-19(14)30)29-10-8-28(9-11-29)13-6-4-3-5-7-13/h3-7,12,15-17,21,31-32H,2,8-11H2,1H3,(H,24,33)(H2,23,26,27)/t15-,16+,17-,21+/m0/s1 VOMVVKGMVNIXGH-GRXQJBFDSA-N 50079345 CHEMBL3416801 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079345&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734367 313073936 CHEMBL3416801 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325081 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(F)cc1 InChI=1S/C22H27FN8O4/c1-2-25-20(34)17-15(32)16(33)21(35-17)31-11-26-14-18(24)27-22(28-19(14)31)30-9-7-29(8-10-30)13-5-3-12(23)4-6-13/h3-6,11,15-17,21,32-33H,2,7-10H2,1H3,(H,25,34)(H2,24,27,28)/t15-,16+,17-,21+/m0/s1 QZSNGWNKFCNGLP-GRXQJBFDSA-N 50079346 CHEMBL3416802 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079346&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734368 313073937 CHEMBL3416802 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325082 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OC)cc1 InChI=1S/C23H30N8O5/c1-3-25-21(34)18-16(32)17(33)22(36-18)31-12-26-15-19(24)27-23(28-20(15)31)30-10-8-29(9-11-30)13-4-6-14(35-2)7-5-13/h4-7,12,16-18,22,32-33H,3,8-11H2,1-2H3,(H,25,34)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1 LVFIZODFBSVCOC-RQXXJAGISA-N 50079347 CHEMBL3416803 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079347&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734369 313073938 CHEMBL3416803 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325083 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCOC)cc1 InChI=1S/C25H34N8O6/c1-3-27-23(36)20-18(34)19(35)24(39-20)33-14-28-17-21(26)29-25(30-22(17)33)32-10-8-31(9-11-32)15-4-6-16(7-5-15)38-13-12-37-2/h4-7,14,18-20,24,34-35H,3,8-13H2,1-2H3,(H,27,36)(H2,26,29,30)/t18-,19+,20-,24+/m0/s1 DHSVSNGIGFVEQT-CMCWBKRRSA-N 50079348 CHEMBL3416804 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079348&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734370 313073939 CHEMBL3416804 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325084 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccccc2)cc1 InChI=1S/C29H34N8O5/c1-2-31-27(40)24-22(38)23(39)28(42-24)37-17-32-21-25(30)33-29(34-26(21)37)36-14-12-35(13-15-36)19-8-10-20(11-9-19)41-16-18-6-4-3-5-7-18/h3-11,17,22-24,28,38-39H,2,12-16H2,1H3,(H,31,40)(H2,30,33,34)/t22-,23+,24-,28+/m0/s1 BMVQYTBZDSZAEL-NLJXWPIHSA-N 50079349 CHEMBL3416805 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079349&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734371 313073940 CHEMBL3416805 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325085 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(Cl)cc2)cc1 InChI=1S/C29H33ClN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 MUNVDVWWEQGHID-NLJXWPIHSA-N 50079350 CHEMBL3416806 Adenosine receptor A2a Homo sapiens 52 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079350&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734372 313073941 CHEMBL3416806 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325086 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(F)cc2)cc1 InChI=1S/C29H33FN8O5/c1-2-32-27(41)24-22(39)23(40)28(43-24)38-16-33-21-25(31)34-29(35-26(21)38)37-13-11-36(12-14-37)19-7-9-20(10-8-19)42-15-17-3-5-18(30)6-4-17/h3-10,16,22-24,28,39-40H,2,11-15H2,1H3,(H,32,41)(H2,31,34,35)/t22-,23+,24-,28+/m0/s1 GESPVKNCXDLKEW-NLJXWPIHSA-N 50079351 CHEMBL3416807 Adenosine receptor A2a Homo sapiens 432 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079351&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734373 313073942 CHEMBL3416807 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325087 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 InChI=1S/C30H33F3N8O5/c1-2-35-27(44)24-22(42)23(43)28(46-24)41-16-36-21-25(34)37-29(38-26(21)41)40-13-11-39(12-14-40)19-7-9-20(10-8-19)45-15-17-3-5-18(6-4-17)30(31,32)33/h3-10,16,22-24,28,42-43H,2,11-15H2,1H3,(H,35,44)(H2,34,37,38)/t22-,23+,24-,28+/m0/s1 FKJZJHHCFXKNFO-NLJXWPIHSA-N 50079352 CHEMBL3416808 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079352&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734374 313073943 CHEMBL3416808 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325088 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCc2ccncc2)cc1 InChI=1S/C28H33N9O5/c1-2-31-26(40)23-21(38)22(39)27(42-23)37-16-32-20-24(29)33-28(34-25(20)37)36-13-11-35(12-14-36)18-3-5-19(6-4-18)41-15-17-7-9-30-10-8-17/h3-10,16,21-23,27,38-39H,2,11-15H2,1H3,(H,31,40)(H2,29,33,34)/t21-,22+,23-,27+/m0/s1 KRSDSGUJIIYWTO-NBCVKUGOSA-N 50079353 CHEMBL3416809 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079353&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734375 313073944 CHEMBL3416809 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325089 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCCCc2ccccc2)cc1 InChI=1S/C31H38N8O5/c1-2-33-29(42)26-24(40)25(41)30(44-26)39-19-34-23-27(32)35-31(36-28(23)39)38-16-14-37(15-17-38)21-10-12-22(13-11-21)43-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,19,24-26,30,40-41H,2,6,9,14-18H2,1H3,(H,33,42)(H2,32,35,36)/t24-,25+,26-,30+/m0/s1 GDLSEFIWYFWPFI-YRIIQKNPSA-N 50079354 CHEMBL3416810 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079354&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734376 313073945 CHEMBL3416810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325090 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)N1CCN(CC1)c1ccc(OCC(=O)OCC)cc1 InChI=1S/C26H34N8O7/c1-3-28-24(38)21-19(36)20(37)25(41-21)34-14-29-18-22(27)30-26(31-23(18)34)33-11-9-32(10-12-33)15-5-7-16(8-6-15)40-13-17(35)39-4-2/h5-8,14,19-21,25,36-37H,3-4,9-13H2,1-2H3,(H,28,38)(H2,27,30,31)/t19-,20+,21-,25+/m0/s1 GATMPFQLRGDCAR-UGCAPWQASA-N 50079355 CHEMBL3416811 Adenosine receptor A2a Homo sapiens 74 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079355&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734377 313073946 CHEMBL3416811 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322909 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1 MAIBBTQWLYABNH-FLNNQWSLSA-N 50078422 CHEMBL3414936 Adenosine receptor A2a Homo sapiens 2.4 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732971 103970973 CHEMBL3414936 ZINC13557127 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322910 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1 KCFSAWYFAYDKQD-QMWPFBOUSA-N 50078423 CHEMBL3414937 Adenosine receptor A2a Homo sapiens 3.8 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56627882 103970974 CHEMBL3414937 ZINC13557116 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322911 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1 XLNLUOHNKKMJIG-QRIDJOKKSA-N 50078424 CHEMBL3414938 Adenosine receptor A2a Homo sapiens 1710 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078424&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732972 103970975 CHEMBL3414938 ZINC13557090 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322912 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 InChI=1S/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/m0/s1 PCCBWJONNFIZJH-FLNNQWSLSA-N 50078425 CHEMBL3414939 Adenosine receptor A2a Homo sapiens 238 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078425&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732973 103970976 CHEMBL3414939 ZINC26485708 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322913 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1 DEVAFUMPTPLYOY-BQVMBELUSA-N 50078426 CHEMBL3414940 Adenosine receptor A2a Homo sapiens 9.8 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078426&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732974 103970977 CHEMBL3414940 ZINC13557146 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322914 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1 IRRXNCFETDOCCQ-AEISUSGSSA-N 50078427 CHEMBL3414941 Adenosine receptor A2a Homo sapiens 5.3 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078427&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732975 103970978 CHEMBL3414941 ZINC13557124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322915 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12 InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1 VBEDZGFOGYYFAA-VAKQMTRESA-N 50078428 CHEMBL3414942 Adenosine receptor A2a Homo sapiens 7.7 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078428&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732976 103970979 CHEMBL3414942 ZINC13557104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322916 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)nc(Cl)nc12 InChI=1S/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/m1/s1 UQOODWFWVKWKPZ-TXWJGDGWSA-N 50078429 CHEMBL3414943 Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078429&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732977 103970980 CHEMBL3414943 ZINC13557093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322917 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)ncnc12 InChI=1S/C16H21N9O4/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(29-12)24-7-19-9-13(17-6-18-15(9)24)20-8-4-3-5-28-8/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,20)/t8?,10-,11+,12-,16+/m0/s1 OZWIQLJRUYENLH-BHETVNITSA-N 50078430 CHEMBL3414944 Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078430&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732978 103970981 CHEMBL3414944 ZINC13557112 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322918 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCO3)nc(Cl)nc12 InChI=1S/C16H20ClN9O4/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(30-11)25-6-18-8-12(19-7-4-3-5-29-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,19,20,21)/t7?,9-,10+,11-,15+/m0/s1 HAPGDXOGTRCUFO-GEVFMYGYSA-N 50078537 CHEMBL3414945 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078537&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732979 313073672 CHEMBL3414945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322919 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1 SLEKQRJDUVSCPY-MOROJQBDSA-N 50078538 CHEMBL3414946 Adenosine receptor A2a Homo sapiens 8.4 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078538&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732980 313073673 CHEMBL3414946 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322920 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)nc(Cl)nc12 InChI=1S/C18H16Cl2FN9O3/c1-2-30-27-15(26-28-30)13-11(31)12(32)17(33-13)29-6-22-10-14(24-18(20)25-16(10)29)23-9-4-3-7(19)5-8(9)21/h3-6,11-13,17,31-32H,2H2,1H3,(H,23,24,25)/t11-,12+,13-,17+/m0/s1 HLHAFTISHRHDPF-PFHKOEEOSA-N 50078420 CHEMBL3414947 Adenosine receptor A2a Homo sapiens 29 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732981 103970971 CHEMBL3414947 ZINC13557132 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50322921 CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 InChI=1S/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SXSHOTNATXYYEG-MOROJQBDSA-N 50078421 CHEMBL3414948 Adenosine receptor A2a Homo sapiens 9.0 ChEMBL 10.1021/acs.jmedchem.5b00074 10.7270/Q2GX4D8B 25699637 Petrelli, R; Torquati, I; Kachler, S; Luongo, L; Maione, S; Franchetti, P; Grifantini, M; Novellino, E; Lavecchia, A; Klotz, KN; Cappellacci, L University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118732982 103970972 CHEMBL3414948 ZINC13557150 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325117 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CCc4ccccc4)CC3)nc12 InChI=1S/C26H37N9O4/c1-2-28-24(38)21-19(36)20(37)25(39-21)35-16-30-18-22(27)31-26(32-23(18)35)29-9-11-34-14-12-33(13-15-34)10-8-17-6-4-3-5-7-17/h3-7,16,19-21,25,36-37H,2,8-15H2,1H3,(H,28,38)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 GLQXBKNCFOACJO-UGCAPWQASA-N 50079341 CHEMBL3416778 Adenosine receptor A2a Homo sapiens 1763 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079341&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734343 313073932 CHEMBL3416778 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325118 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(Cc4ccccc4)CC3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)14-16-6-4-3-5-7-16/h3-7,15,18-20,24,35-36H,2,8-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 KOEBHQWXJSXWRR-CMCWBKRRSA-N 50079342 CHEMBL3416777 Adenosine receptor A2a Homo sapiens 842 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079342&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734342 313073933 CHEMBL3416777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325119 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-9-6-10-32-11-13-33(14-12-32)16-7-4-3-5-8-16/h3-5,7-8,15,18-20,24,35-36H,2,6,9-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 APKBJUYYYJBSCQ-CMCWBKRRSA-N 50079343 CHEMBL3416776 Adenosine receptor A2a Homo sapiens 438 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079343&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734341 313073934 CHEMBL3416776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325120 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C24H33N9O4/c1-2-26-22(36)19-17(34)18(35)23(37-19)33-14-28-16-20(25)29-24(30-21(16)33)27-8-9-31-10-12-32(13-11-31)15-6-4-3-5-7-15/h3-7,14,17-19,23,34-35H,2,8-13H2,1H3,(H,26,36)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 KZRRJUCUDUDDFB-QPXQOZNCSA-N 50079344 CHEMBL3416775 Adenosine receptor A2a Homo sapiens 91 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079344&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734340 313073935 CHEMBL3416775 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325121 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CCc4ccccc4)CC3)nc12 InChI=1S/C26H37N9O4/c1-2-28-24(38)21-19(36)20(37)25(39-21)35-16-30-18-22(27)31-26(32-23(18)35)29-9-11-34-14-12-33(13-15-34)10-8-17-6-4-3-5-7-17/h3-7,16,19-21,25,36-37H,2,8-15H2,1H3,(H,28,38)(H3,27,29,31,32)/t19-,20+,21-,25+/m0/s1 GLQXBKNCFOACJO-UGCAPWQASA-N 50079341 CHEMBL3416778 Adenosine receptor A2a Homo sapiens 967 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079341&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734343 313073932 CHEMBL3416778 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325122 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(Cc4ccccc4)CC3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)14-16-6-4-3-5-7-16/h3-7,15,18-20,24,35-36H,2,8-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 KOEBHQWXJSXWRR-CMCWBKRRSA-N 50079342 CHEMBL3416777 Adenosine receptor A2a Homo sapiens 659 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079342 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079342&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734342 313073933 CHEMBL3416777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325123 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C25H35N9O4/c1-2-27-23(37)20-18(35)19(36)24(38-20)34-15-29-17-21(26)30-25(31-22(17)34)28-9-6-10-32-11-13-33(14-12-32)16-7-4-3-5-8-16/h3-5,7-8,15,18-20,24,35-36H,2,6,9-14H2,1H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 APKBJUYYYJBSCQ-CMCWBKRRSA-N 50079343 CHEMBL3416776 Adenosine receptor A2a Homo sapiens 237 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079343&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734341 313073934 CHEMBL3416776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325124 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccccc3)nc12 InChI=1S/C24H33N9O4/c1-2-26-22(36)19-17(34)18(35)23(37-19)33-14-28-16-20(25)29-24(30-21(16)33)27-8-9-31-10-12-32(13-11-31)15-6-4-3-5-7-15/h3-7,14,17-19,23,34-35H,2,8-13H2,1H3,(H,26,36)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 KZRRJUCUDUDDFB-QPXQOZNCSA-N 50079344 CHEMBL3416775 Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079344&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734340 313073935 CHEMBL3416775 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325129 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1 InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1 ZOTHAEBAWXWVID-HXEFRTELSA-N 50316212 6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl)-9H-purine-2-carboxamide::CHEMBL1096896 Adenosine receptor A2a Homo sapiens 4.0 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50316212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50316212&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search UKA 7EZC,5WF6,5WF5,3QAK 9833519 104150573 CHEMBL1096896 ZINC95539256 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325130 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1 FLEVIENZILQUKB-XTWQNQIISA-N 50364063 CHEMBL1950649 Adenosine receptor A2a Homo sapiens 0.500000 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364063&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9805430 136968125 CHEMBL1950649 ZINC03966397 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325131 CNC(=O)c1cnn(c1)-c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 50119132 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide::CHEMBL317052::REGADENOSON Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 219024 104012380 CHEMBL317052 DB06213 5596 ZINC13818943 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325132 Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1 FLKLBEIFDXKPBA-XNIJJKJLSA-N 50364045 CHEMBL1950554 Adenosine receptor A2a Homo sapiens 270 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364045&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56618357 136968107 CHEMBL1950554 ZINC03932652 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325133 Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1 WUCQGGOGHZRELS-LSCFUAHRSA-N 50364043 CHEMBL1950553 Adenosine receptor A2a Homo sapiens 490 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50364043 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50364043&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9910098 136968105 CHEMBL1950553 ZINC03966398 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325134 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)C(F)(F)F)nc12 InChI=1S/C25H32F3N9O4/c1-2-30-22(40)19-17(38)18(39)23(41-19)37-13-32-16-20(29)33-24(34-21(16)37)31-7-8-35-9-11-36(12-10-35)15-5-3-14(4-6-15)25(26,27)28/h3-6,13,17-19,23,38-39H,2,7-12H2,1H3,(H,30,40)(H3,29,31,33,34)/t17-,18+,19-,23+/m0/s1 RKLFDOIAXZNEOW-QPXQOZNCSA-N 50079340 CHEMBL3416783 Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079340&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734348 313073931 CHEMBL3416783 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325135 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)nc12 InChI=1S/C24H32N10O6/c1-2-26-22(37)19-17(35)18(36)23(40-19)33-13-28-16-20(25)29-24(30-21(16)33)27-7-8-31-9-11-32(12-10-31)14-3-5-15(6-4-14)34(38)39/h3-6,13,17-19,23,35-36H,2,7-12H2,1H3,(H,26,37)(H3,25,27,29,30)/t17-,18+,19-,23+/m0/s1 LSZORRNSFRRABA-QPXQOZNCSA-N 50079339 CHEMBL3416784 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079339&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734349 313073930 CHEMBL3416784 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325136 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(C)cc3)nc12 InChI=1S/C25H35N9O4/c1-3-27-23(37)20-18(35)19(36)24(38-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)16-6-4-15(2)5-7-16/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 SAHDAZUFESIDFC-CMCWBKRRSA-N 50079338 CHEMBL3416785 Adenosine receptor A2a Homo sapiens 88 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079338&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734350 313073929 CHEMBL3416785 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50325137 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCN3CCN(CC3)c3ccc(OC)cc3)nc12 InChI=1S/C25H35N9O5/c1-3-27-23(37)20-18(35)19(36)24(39-20)34-14-29-17-21(26)30-25(31-22(17)34)28-8-9-32-10-12-33(13-11-32)15-4-6-16(38-2)7-5-15/h4-7,14,18-20,24,35-36H,3,8-13H2,1-2H3,(H,27,37)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1 MVIMKMKGSXJLAG-CMCWBKRRSA-N 50079337 CHEMBL3416786 Adenosine receptor A2a Homo sapiens 43 ChEMBL 10.1021/acs.jmedchem.5b00215 10.7270/Q2X068RF 25780876 Preti, D; Baraldi, PG; Saponaro, G; Romagnoli, R; Aghazadeh Tabrizi, M; Baraldi, S; Cosconati, S; Bruno, A; Novellino, E; Vincenzi, F; Ravani, A; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50079337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50079337&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118734351 313073928 CHEMBL3416786 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327236 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)Nc2ccccc2Cl)c1 InChI=1S/C22H24ClN7O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)26-19(27-20)14-11-24-28(12-14)13-17(31)25-16-8-6-5-7-15(16)23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,25,31)(H,26,27) VGQQNYGQHGACFL-UHFFFAOYSA-N 50176736 CHEMBL200780::N-(2-chlorophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)acetamide Adenosine receptor A2a Homo sapiens 1500 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176736&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958701 104062383 CHEMBL200780 ZINC28564212 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327242 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C24H23F3N8O3/c1-3-9-34-20-18(22(36)35(10-4-2)23(34)37)30-19(31-20)15-11-28-33(12-15)13-17-29-21(38-32-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31) MCFKNUKIBRIAQU-UHFFFAOYSA-N 50176738 1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL372086 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176738&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10029879 104062385 CHEMBL372086 ZINC28564306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327265 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C25H24F3N7O3/c1-3-9-34-22-20(23(36)35(10-4-2)24(34)37)30-21(31-22)16-12-29-33(13-16)14-18-11-19(38-32-18)15-5-7-17(8-6-15)25(26,27)28/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,30,31) YTNFLFXQFWBCKN-UHFFFAOYSA-N 50176755 1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL200451 Adenosine receptor A2a Homo sapiens 1700 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176755&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11466670 104062402 CHEMBL200451 ZINC28563435 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327269 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C23H23ClN8O3/c1-3-9-31-20-18(22(33)32(10-4-2)23(31)34)27-19(28-20)15-11-25-30(12-15)13-17-26-21(35-29-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28) XQBUMQMRPGEFTC-UHFFFAOYSA-N 50176748 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380821 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176748&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11698898 104062395 CHEMBL380821 ZINC28564258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327273 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) QHQXJNOXMJZDGX-UHFFFAOYSA-N 50233091 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252245 Adenosine receptor A2a Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266775 104055657 CHEMBL252245 ZINC28564226 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327276 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1 InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28) OLIHDMQNBFBNIO-UHFFFAOYSA-N 50176744 8-(1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL371731 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176744&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406556 104062391 CHEMBL371731 ZINC28564110 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327280 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(Cl)c2)c1 InChI=1S/C24H24ClN7O3/c1-3-8-31-22-20(23(33)32(9-4-2)24(31)34)27-21(28-22)16-12-26-30(13-16)14-18-11-19(35-29-18)15-6-5-7-17(25)10-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,28) KDLPGEPENKAHRB-UHFFFAOYSA-N 50176764 8-(1-((5-(3-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200417 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176764&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406397 104062409 CHEMBL200417 ZINC28563237 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327282 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2cccc(OC)c2)c1 InChI=1S/C25H27N7O4/c1-4-9-31-23-21(24(33)32(10-5-2)25(31)34)27-22(28-23)17-13-26-30(14-17)15-18-12-20(36-29-18)16-7-6-8-19(11-16)35-3/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,27,28) BKOBBKIEQUOBRF-UHFFFAOYSA-N 50176765 8-(1-((5-(3-methoxyphenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL200747 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406403 104062410 CHEMBL200747 ZINC28563256 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327283 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1 InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29) KZPFLNKFNJQZAA-UHFFFAOYSA-N 50176757 4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazol-3-yl)benzonitrile::CHEMBL199908 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176757&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406642 104062404 CHEMBL199908 ZINC28564245 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50327284 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2cccc(OC)c2)c1 InChI=1S/C24H26N8O4/c1-4-9-31-21-19(23(33)32(10-5-2)24(31)34)27-20(28-21)16-12-25-30(13-16)14-18-26-22(36-29-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28) TWNLJNRWYREDIQ-UHFFFAOYSA-N 50176741 8-(1-((5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL370860 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2005.10.002 10.7270/Q2154GM1 16275090 Elzein, E; Kalla, R; Li, X; Perry, T; Parkhill, E; Palle, V; Varkhedkar, V; Gimbel, A; Zeng, D; Lustig, D; Leung, K; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176741&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44406588 104062388 CHEMBL370860 ZINC28564216 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330612 CCOC(=O)c1nc2c(N)nc3ccc(Cl)cc3n2n1 InChI=1S/C12H10ClN5O2/c1-2-20-12(19)10-16-11-9(14)15-7-4-3-6(13)5-8(7)18(11)17-10/h3-5H,2H2,1H3,(H2,14,15) BXMZKPVQYIIUDG-UHFFFAOYSA-N 50178629 CHEMBL8966::ethyl 8-chloro-4-imino-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate Adenosine receptor A2a Homo sapiens 4900 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178629&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44405057 104063933 CHEMBL8966 ZINC13677412 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330613 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 337 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330620 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 21000 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330643 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 7900 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330648 Nc1nc2ccc(Cl)cc2n2nc(nc12)-c1ccccc1 InChI=1S/C15H10ClN5/c16-10-6-7-11-12(8-10)21-15(13(17)18-11)19-14(20-21)9-4-2-1-3-5-9/h1-8H,(H2,17,18) FHUOEWFZJRKATG-UHFFFAOYSA-N 50178638 8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-amine::CHEMBL200835 Adenosine receptor A2a Homo sapiens 161 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50178638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50178638&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10085895 104063942 CHEMBL200835 ZINC13677379 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330649 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1ccco1 InChI=1S/C13H7ClN4O2/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19) RBJMHOHGXKHALS-UHFFFAOYSA-N 50039954 8-Chloro-2-furan-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::8-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL316824 Adenosine receptor A2a Homo sapiens 5160 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039954&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10108084 103947149 CHEMBL316824 ZINC13677387 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330664 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330671 Clc1ccc2[nH]c(=O)c3nc(nn3c2c1)-c1cccs1 InChI=1S/C13H7ClN4OS/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19) STQFYEMJERDQPY-UHFFFAOYSA-N 50039958 8-Chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::8-chloro-2-(thiophen-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::CHEMBL94830 Adenosine receptor A2a Homo sapiens 6530 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039958&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10063525 103947153 CHEMBL94830 ZINC13677389 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50330672 O=c1[nH]c2ccccc2n2nc(nc12)-c1ccco1 InChI=1S/C13H8N4O2/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18) PZZYDGACWZJJKA-UHFFFAOYSA-N 50039960 2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one::2-Furan-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one::CHEMBL330399 Adenosine receptor A2a Homo sapiens 4750 ChEMBL 10.1021/jm0504149 10.7270/Q20V8CCR 16335918 Catarzi, D; Colotta, V; Varano, F; Lenzi, O; Filacchioni, G; Trincavelli, L; Martini, C; Montopoli, C; Moro, S Università degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039960&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10083550 103947155 CHEMBL330399 ZINC13677399 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50331728 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 SQMWSBKSHWARHU-SDBHATRESA-N 25400 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CHEMBL68738::CPA::N6-CyclopentylAdo::N6-cyclopentyladenosine (CPA)::cid_657378 Adenosine receptor A2a Homo sapiens 462 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25400&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3GU 3GU8 657378 56374539 CHEMBL68738 ZINC03995996 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50331735 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12 InChI=1S/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11-8-1-2-9(11)4-3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10-,11?,13-,14-,17-/m1/s1 ITCAHRKJDUXOHO-WGJBVEHFSA-N 50179182 (2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-7-ylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL176551 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50179182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50179182&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44405094 104064410 CHEMBL176551 ZINC13677752 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50331745 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A2a Homo sapiens 2270 ChEMBL 10.1021/jm050726b 10.7270/Q2CZ36QQ 16366590 Jacobson, KA; Gao, ZG; Tchilibon, S; Duong, HT; Joshi, BV; Sonin, D; Liang, BT National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333797 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 InChI=1S/C19H21ClN6O3S/c1-9-5-3-4-6-10(9)7-22-15-11-16(25-19(20)24-15)26(8-23-11)18-13(28)12(27)14(30-18)17(29)21-2/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)/t12-,13+,14-,18+/m0/s1 HYMVDRPLNPGRAA-MOROJQBDSA-N 50180198 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid methylamide::CHEMBL370187 Adenosine receptor A2a Homo sapiens 1320 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180198&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11568586 104065331 CHEMBL370187 ZINC13678677 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333801 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC1CC1 InChI=1S/C22H25ClN6O3S/c1-11-4-2-3-5-13(11)9-24-18-14-19(28-22(23)27-18)29(10-26-14)21-16(31)15(30)17(33-21)20(32)25-8-12-6-7-12/h2-5,10,12,15-17,21,30-31H,6-9H2,1H3,(H,25,32)(H,24,27,28)/t15-,16+,17-,21+/m0/s1 IRNUNBGDMONGTC-GRXQJBFDSA-N 50180202 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid cyclopropylmethyl-amide::CHEMBL199541 Adenosine receptor A2a Homo sapiens 3890 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11663152 104065335 CHEMBL199541 ZINC13678685 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333802 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C15H19ClN6O3S/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21)/t8-,9+,10-,14+/m0/s1 UUDKVUOONJCNHM-AEISUSGSSA-N 50180204 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200705 Adenosine receptor A2a Homo sapiens 604 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180204&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11675684 104065337 CHEMBL200705 ZINC13678667 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333803 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 InChI=1S/C20H23ClN6O3S/c1-3-22-18(30)15-13(28)14(29)19(31-15)27-9-24-12-16(25-20(21)26-17(12)27)23-8-11-7-5-4-6-10(11)2/h4-7,9,13-15,19,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26)/t13-,14+,15-,19+/m0/s1 USHRPXXEHVORLX-QCUYGVNKSA-N 50180203 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid ethylamide::CHEMBL200099 Adenosine receptor A2a Homo sapiens 429 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180203&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11662646 104065336 CHEMBL200099 ZINC13678679 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333810 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26)/t12-,13+,14-,18+/m0/s1 YVYTUCAAWMEQEO-MOROJQBDSA-N 50180209 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200854 Adenosine receptor A2a Homo sapiens 292 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11577804 104065342 CHEMBL200854 ZINC28563648 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333813 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C16H19ClN6O3S/c17-16-21-12(19-6-1-2-6)8-13(22-16)23(5-18-8)15-10(25)9(24)11(27-15)14(26)20-7-3-4-7/h5-7,9-11,15,24-25H,1-4H2,(H,20,26)(H,19,21,22)/t9-,10+,11-,15+/m0/s1 SBQDAHCQAHFDOM-BQVMBELUSA-N 50180211 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL381868 Adenosine receptor A2a Homo sapiens 325 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11675940 104065344 CHEMBL381868 ZINC13678669 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333816 CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 InChI=1S/C14H17ClN6O3S/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20)/t7-,8+,9-,13+/m0/s1 OSCYWEXJFANEJM-QRIDJOKKSA-N 50180208 (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL199877 Adenosine receptor A2a Homo sapiens 2770 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180208&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11589094 104065341 CHEMBL199877 ZINC13678649 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333825 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 InChI=1S/C14H17ClN6O3S/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20)/t7-,8+,9-,13+/m0/s1 PYZMHDHWCBNNIV-QRIDJOKKSA-N 50180215 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopropylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200184 Adenosine receptor A2a Homo sapiens 4890 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11625174 104065348 CHEMBL200184 ZINC13678665 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333832 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 InChI=1S/C11H13ClN6O3S/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17)/t4-,5+,6-,10+/m0/s1 JPMMQQWPKSNQLI-LKCKTBJASA-N 50180219 (2-chloropurin-9-yl)-3,4-dihydroxytetrahydrothiphene-2-carboxylic acid methyl amide::CHEMBL203357 Adenosine receptor A2a Homo sapiens 158 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180219&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11782906 104065352 CHEMBL203357 ZINC13525775 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333838 Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1 InChI=1S/C21H23ClN6O3S/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27)/t14-,15+,16-,20+/m0/s1 AZMGORPHNMBVBU-KSVNGYGVSA-N 50180205 (2S,3S,4R,5R)-5-[2-chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid cyclopropylamide::CHEMBL200072 Adenosine receptor A2a Homo sapiens 202 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180205&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11634270 104065338 CHEMBL200072 ZINC13678683 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333840 CCNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C17H23ClN6O3S/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23)/t10-,11+,12-,16+/m0/s1 VJMSHFDGTPCLQR-MEQWQQMJSA-N 50180210 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL202189 Adenosine receptor A2a Homo sapiens 149 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11640487 104065343 CHEMBL202189 ZINC13678675 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333844 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1 YUOKEETUCXPRGI-KSVNGYGVSA-N 50180218 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-cyclobutyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200407 Adenosine receptor A2a Homo sapiens 549 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180218&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11606834 104065351 CHEMBL200407 ZINC28564201 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333846 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H21ClN6O3S/c1-18-14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(20-7-4-2-3-5-7)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t9-,10+,11-,15+/m0/s1 RNMMGHXJZWZLKG-BQVMBELUSA-N 50180226 (2S,3S,4R,5R)-5-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL381408 Adenosine receptor A2a Homo sapiens 921 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180226&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11625772 104065359 CHEMBL381408 ZINC13678673 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333858 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1 UITITPRUOJYYPF-KSVNGYGVSA-N 50180196 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL200279 Adenosine receptor A2a Homo sapiens 2220 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180196&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11657274 104065329 CHEMBL200279 ZINC28564195 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333864 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333868 O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3S/c21-20-26-16(23-7-9-2-1-3-10(22)6-9)12-17(27-20)28(8-24-12)19-14(30)13(29)15(32-19)18(31)25-11-4-5-11/h1-3,6,8,11,13-15,19,29-30H,4-5,7H2,(H,25,31)(H,23,26,27)/t13-,14+,15-,19+/m0/s1 UJZLLTCIXYYLAN-QCUYGVNKSA-N 50180217 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-cyclopropyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide::CHEMBL370446 Adenosine receptor A2a Homo sapiens 326 ChEMBL 10.1021/jm050595e 10.7270/Q2736QG2 16392812 Jeong, LS; Lee, HW; Jacobson, KA; Kim, HO; Shin, DH; Lee, JA; Gao, ZG; Lu, C; Duong, HT; Gunaga, P; Lee, SK; Jin, DZ; Chun, MW; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180217&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11650023 104065350 CHEMBL370446 ZINC28564218 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345572 CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24) LIJDFWULFIYULY-UHFFFAOYSA-N 50186587 8-propyl-2,6-diphenyl-9H-purine::CHEMBL424869 Adenosine receptor A2a Homo sapiens 167 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186587&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11565892 104070636 CHEMBL424869 ZINC13686538 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345573 C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26) NDJOQVVSPLVIDN-UHFFFAOYSA-N 50186588 8-cyclopentyl-2,6-diphenyl-9H-purine::CHEMBL207824::LUF-5962 Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186588&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11617054 104070637 CHEMBL207824 ZINC13686546 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345575 CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24) WOKKQPCDRVUEPM-UHFFFAOYSA-N 50186590 8-isopropyl-2,6-diphenyl-9H-purine::CHEMBL204780::LUF-5956 Adenosine receptor A2a Homo sapiens 148 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186590&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11536936 104070639 CHEMBL204780 ZINC13686541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345580 c1ccc(cc1)-c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27) UHWGSYGCZUMSMO-UHFFFAOYSA-N 50186596 2,6,8-triphenyl-9H-purine::CHEMBL378959 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186596&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11462181 104070645 CHEMBL378959 ZINC13686534 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345581 Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22) OPFZHJCGZXEIRY-UHFFFAOYSA-N 50186597 2-tolyl-6-phenyl-9H-purine::CHEMBL205194 Adenosine receptor A2a Homo sapiens 289 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186597&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11652153 104070646 CHEMBL205194 ZINC13686522 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345599 C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27) IGJKVZBNIOTBGI-UHFFFAOYSA-N 50186599 8-cyclohexyl-2,6-diphenyl-9H-purine::CHEMBL207529::LUF-5957 Adenosine receptor A2a Homo sapiens 118 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186599&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11523232 104070648 CHEMBL207529 ZINC13686551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345600 Clc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1 InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22) FPWZFVSRIINTRB-UHFFFAOYSA-N 50186593 2-(4-chlorophenyl)-6-phenyl-9H-purine::CHEMBL205586 Adenosine receptor A2a Homo sapiens 315 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186593&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11529627 104070642 CHEMBL205586 ZINC13686517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50345602 c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21) WNVFFQZYOFELQA-UHFFFAOYSA-N 50186594 2,6-diphenyl-9H-purine::CHEMBL381729 Adenosine receptor A2a Homo sapiens 53 ChEMBL 10.1021/jm050640i 10.7270/Q2348JZ4 16686529 Chang, LC; Spanjersberg, RF; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50186594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50186594&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11572592 104070643 CHEMBL381729 ZINC13686502 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50337249 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3 PGGCRGAETLNAJC-UHFFFAOYSA-N 50182020 2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione::CHEMBL426317 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2006.01.052 10.7270/Q2ZC82FS 16458504 Prabhakaran, J; Parsey, RV; Majo, VJ; Hsiung, SC; Milak, MS; Tamir, H; Simpson, NR; Van Heertum, RL; Mann, JJ; Dileep Kumar, JS Columbia University College of Physicians and Surgeons http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11948707 104066846 CHEMBL426317 ZINC34801069 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333307 COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 GKTQBPYMIGXPKG-UHFFFAOYSA-N 50180054 CHEMBL199824::[O-methyl-11C]2-{4-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]butyl}-4-methyl-2H-[1,2,4]triazine-3,5-dione Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm050725j 10.7270/Q2R49QBD 16392798 Kumar, JS; Majo, VJ; Hsiung, SC; Millak, MS; Liu, KP; Tamir, H; Prabhakaran, J; Simpson, NR; Van Heertum, RL; Mann, JJ; Parsey, RV Columbia University College of Physicians and Surgeons http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10324985 104065192 CHEMBL199824 ZINC03825965 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333501 CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/m0/s1 HNQHMECPKRTTRV-IEJKQUADSA-N 50083560 CHEMBL3423400 Adenosine receptor A2a Homo sapiens 14000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083560&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44339858 103983223 CHEMBL3423400 ZINC26974036 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333502 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/m0/s1 PJNRWLKSWTWXBR-FETRQNOVSA-N 50083559 CHEMBL3423401 Adenosine receptor A2a Homo sapiens 16000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083559&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44339949 103983222 CHEMBL3423401 ZINC26975408 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333503 NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O 50083509 CHEMBL3423402 Adenosine receptor A2a Homo sapiens 44000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083509 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083509&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118736404 313083010 CHEMBL3423402 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333504 NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/m0/s1 TXVUROLPUDSHNS-IRUKTGRDSA-N 50083558 CHEMBL3423403 Adenosine receptor A2a Homo sapiens 37000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083558&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340255 103983221 CHEMBL3423403 ZINC26979665 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333505 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/m0/s1 KMGVERQIRHTKMX-MAKWBINYSA-N 50083555 CHEMBL3423404 Adenosine receptor A2a Homo sapiens 60000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083555&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340113 103983218 CHEMBL3423404 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333506 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/m0/s1 MWJBXTLFRLDENI-MYLNZVDJSA-N 50083554 CHEMBL3423405 Adenosine receptor A2a Homo sapiens 18000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083554&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340080 103983217 CHEMBL3423405 ZINC95546313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333507 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/m0/s1 BUSZPEZABSAFAL-YWNCIPKLSA-N 50083551 CHEMBL3423406 Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083551&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340116 103983214 CHEMBL3423406 ZINC26974420 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333508 CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1 VGAFJYDHFQEKRB-CNRPLSBTSA-N 50083550 CHEMBL3423407 Adenosine receptor A2a Homo sapiens 26000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083550&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340242 103983213 CHEMBL3423407 ZINC26972766 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333509 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O InChI=1S/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/m0/s1 IBCSETAMVUUPMW-PVURQLNPSA-N 50083546 CHEMBL3423408 Adenosine receptor A2a Homo sapiens 27000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083546&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44340289 103983209 CHEMBL3423408 ZINC26990225 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50333510 CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C43H61FN8O5/c1-2-3-12-35(42(56)51-36(26-28-16-19-30(44)20-17-28)43(57)50-34(40(46)54)14-8-9-23-45)48-38(53)15-5-4-10-24-47-41(55)29-18-21-37-39-32(22-25-52(37)27-29)31-11-6-7-13-33(31)49-39/h6-7,11,13,16-17,19-20,29,34-37,49H,2-5,8-10,12,14-15,18,21-27,45H2,1H3,(H2,46,54)(H,47,55)(H,48,53)(H,50,57)(H,51,56)/t29-,34-,35-,36-,37+/m0/s1 KEGYOUUWACRVPZ-LWFXZEMVSA-N 50083544 CHEMBL3423409 Adenosine receptor A2a Homo sapiens 11000 ChEMBL 10.1016/j.ejmech.2015.04.052 10.7270/Q2K64KST 25969169 Molero, A; Vendrell, M; Bonaventura, J; Zachmann, J; López, L; Pardo, L; Lluis, C; Cortés, A; Albericio, F; Casadó, V; Royo, M University of Barcelona http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50083544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50083544&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44339947 103983207 CHEMBL3423409 ZINC26975362 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349495 Cn1cc2c(n1)nc(N=C(Nc1ccccc1)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H19N9O/c1-32-15-18-20(30-32)28-24(33-22(18)27-21(31-33)19-13-8-14-34-19)29-23(25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H2,25,26,28,29,30) IPUHAXFCMZSHBO-UHFFFAOYSA-N 50092261 CHEMBL3581298 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092261 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092261&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178744 318473200 CHEMBL3581298 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349496 Cc1ccc(NC(Nc2ccc(C)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H23N9O/c1-16-6-10-18(11-7-16)27-25(28-19-12-8-17(2)9-13-19)31-26-30-22-20(15-34(3)32-22)24-29-23(33-35(24)26)21-5-4-14-36-21/h4-15H,1-3H3,(H2,27,28,30,31,32) JEULBSUFEVRVSE-UHFFFAOYSA-N 50092262 CHEMBL3581299 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092262&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178745 318473201 CHEMBL3581299 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349497 COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-5-4-14-38-21)31-25(27-16-6-10-18(36-2)11-7-16)28-17-8-12-19(37-3)13-9-17/h4-15H,1-3H3,(H2,27,28,30,31,32) XXKKKLBKXQUNHG-UHFFFAOYSA-N 50092263 CHEMBL3581300 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092263&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178746 318473202 CHEMBL3581300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352739 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 InChI=1S/C21H21N5O4S/c1-25-19-17(20(27)26(2)21(25)28)23-18(24-19)15-8-10-16(11-9-15)31(29,30)22-13-12-14-6-4-3-5-7-14/h3-11,22H,12-13H2,1-2H3,(H,23,24) BQORHOPXTSANCX-UHFFFAOYSA-N 50190699 8-[4-(phenylethylamidosulfonyl)phenyl]-1,3-dimethylxanthine::CHEMBL210585 Adenosine receptor A2a Homo sapiens 32.6 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190699 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190699&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11568359 104073909 CHEMBL210585 ZINC34800773 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352748 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1 InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29) UZYVMMMONZXOCT-UHFFFAOYSA-N 50190702 8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxanthine::CHEMBL211521 Adenosine receptor A2a Homo sapiens 769 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190702 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190702&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11525283 104073912 CHEMBL211521 ZINC36273959 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352754 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33) HHNGYTVWOXXKET-UHFFFAOYSA-N 50190709 8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione::8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine::CHEMBL212625 Adenosine receptor A2a Homo sapiens 484 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190709&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11605883 104073919 CHEMBL212625 ZINC35923133 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352761 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 InChI=1S/C21H21N5O4S/c1-2-12-26-20(27)17-19(25-21(26)28)24-18(23-17)15-8-10-16(11-9-15)31(29,30)22-13-14-6-4-3-5-7-14/h3-11,22H,2,12-13H2,1H3,(H,23,24)(H,25,28) MQFLPQUECNRXNT-UHFFFAOYSA-N 50190706 8-[4-(benzylamidosulfonyl)phenyl]-1-propylxanthine::CHEMBL209230::N-benzyl-4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide Adenosine receptor A2a Homo sapiens 162 ChEMBL 10.1021/jm060277v 10.7270/Q2DV1JHP 16821798 Yan, L; Bertarelli, DC; Hayallah, AM; Meyer, H; Klotz, KN; Muller, CE University of Bonn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190706&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11690712 104073916 CHEMBL209230 ZINC36273955 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349588 Cn1cc2c(n1)nc(N=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17F2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) WLWYRTCMJNWKEG-UHFFFAOYSA-N 50092264 CHEMBL3581301 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092264&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178747 318473203 CHEMBL3581301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349611 Cn1cc2c(n1)nc(N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Cl2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) NQOPEIAFOGFMCM-UHFFFAOYSA-N 50092265 CHEMBL3581302 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092265&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178748 318473204 CHEMBL3581302 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349623 Cn1cc2c(n1)nc(N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Br2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-3-2-12-36-19)31-23(27-16-8-4-14(25)5-9-16)28-17-10-6-15(26)7-11-17/h2-13H,1H3,(H2,27,28,30,31,32) VIIZBWPVQKRQPA-UHFFFAOYSA-N 50092266 CHEMBL3581303 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092266&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178749 318473205 CHEMBL3581303 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349649 C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O InChI=1S/C26H17N11O/c1-36-15-20-22(34-36)32-26(37-24(20)31-23(35-37)21-3-2-12-38-21)33-25(29-18-8-4-16(13-27)5-9-18)30-19-10-6-17(14-28)7-11-19/h2-12,15H,1H3,(H2,29,30,32,33,34) RKZDSCCMCAQSRR-UHFFFAOYSA-N 50092277 CHEMBL3581304 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092277&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 56012 103990444 CHEMBL3581304 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349652 Cn1cc2c(n1)nc(N=C(Nc1ccc(cc1)[N+]([O-])=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1 InChI=1S/C24H17N11O5/c1-32-13-18-20(30-32)28-24(33-22(18)27-21(31-33)19-3-2-12-40-19)29-23(25-14-4-8-16(9-5-14)34(36)37)26-15-6-10-17(11-7-15)35(38)39/h2-13H,1H3,(H2,25,26,28,29,30) LYRLFABUAACRAW-UHFFFAOYSA-N 50092289 CHEMBL3581305 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178751 318473206 CHEMBL3581305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349653 COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1 InChI=1S/C26H23N9O3/c1-34-15-20-22(32-34)30-26(35-24(20)29-23(33-35)21-11-6-12-38-21)31-25(27-16-7-4-9-18(13-16)36-2)28-17-8-5-10-19(14-17)37-3/h4-15H,1-3H3,(H2,27,28,30,31,32) TVTQPGIMAKWXPU-UHFFFAOYSA-N 50092290 CHEMBL3581306 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092290&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178752 318473207 CHEMBL3581306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349654 Cn1cc2c(n1)nc(N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1 InChI=1S/C24H17Cl2N9O/c1-34-13-18-20(32-34)30-24(35-22(18)29-21(33-35)19-9-4-10-36-19)31-23(27-16-7-2-5-14(25)11-16)28-17-8-3-6-15(26)12-17/h2-13H,1H3,(H2,27,28,30,31,32) IBFLFWYWQYIYRS-UHFFFAOYSA-N 50092291 CHEMBL3581307 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092291&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178753 318473208 CHEMBL3581307 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349655 Cn1cc2c(n1)nc(N=C(Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1 InChI=1S/C26H17F6N9O/c1-40-13-18-20(38-40)36-24(41-22(18)35-21(39-41)19-9-4-10-42-19)37-23(33-16-7-2-5-14(11-16)25(27,28)29)34-17-8-3-6-15(12-17)26(30,31)32/h2-13H,1H3,(H2,33,34,36,37,38) BCDSKVUYBBUTTM-UHFFFAOYSA-N 50092292 CHEMBL3581308 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092292&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178754 318473209 CHEMBL3581308 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349657 Cn1cc2c(n1)nc(N=C(NC1CCCCC1)NC1CCCCC1)n1nc(nc21)-c1ccco1 InChI=1S/C24H31N9O/c1-32-15-18-20(30-32)28-24(33-22(18)27-21(31-33)19-13-8-14-34-19)29-23(25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h8,13-17H,2-7,9-12H2,1H3,(H2,25,26,28,29,30) UYTNLPDRDXQUQA-UHFFFAOYSA-N 50092293 CHEMBL3581309 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092293&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178755 318473210 CHEMBL3581309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349658 CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C18H23N9O/c1-10(2)19-17(20-11(3)4)23-18-22-14-12(9-26(5)24-14)16-21-15(25-27(16)18)13-7-6-8-28-13/h6-11H,1-5H3,(H2,19,20,22,23,24) BKSINLBGYYVEDX-UHFFFAOYSA-N 50092308 CHEMBL3581310 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092308&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178756 318473211 CHEMBL3581310 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349661 CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1 InChI=1S/C19H26N10O/c1-5-20-18(21-9-7-10-27(2)3)24-19-23-15-13(12-28(4)25-15)17-22-16(26-29(17)19)14-8-6-11-30-14/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,20,21,23,24,25) AJAAGHYTDBRMNZ-UHFFFAOYSA-N 50092309 CHEMBL3581311 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50092309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50092309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122178757 318473212 CHEMBL3581311 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349689 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381 ChEMBL 10.1021/acs.jmedchem.5b00551 10.7270/Q25X2BNW 26046697 Baraldi, PG; Baraldi, S; Saponaro, G; Aghazadeh Tabrizi, M; Romagnoli, R; Ruggiero, E; Vincenzi, F; Borea, PA; Varani, K Universit£ degli Studi di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362630 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccn3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-12-3-1-2-4-20-12)13-17(25-19)26(9-21-13)18-15(31)14(30)11(8-29)32-18/h1-6,9,11,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t11-,14-,15-,18-/m1/s1 VHBCKPOOXBXORR-XKLVTHTNSA-N 50196540 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyridin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL234136 Adenosine receptor A2a Homo sapiens 1180 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196540 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196540&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430206 104078256 CHEMBL234136 ZINC28817684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362643 Cc1ccc(Nc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CO)cn2)cc1 InChI=1S/C21H23N7O5/c1-11-2-4-13(5-3-11)24-18-15-19(26-21(25-18)28-7-12(8-29)6-23-28)27(10-22-15)20-17(32)16(31)14(9-30)33-20/h2-7,10,14,16-17,20,29-32H,8-9H2,1H3,(H,24,25,26)/t14-,16-,17-,20-/m1/s1 FFXMREHKIUCCAM-WVSUBDOOSA-N 50196551 (2R,3R,4S,5R)-2-(6-(p-toluidino)-2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL400013 Adenosine receptor A2a Homo sapiens 2320 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196551&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430198 104078267 CHEMBL400013 ZINC28817677 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362648 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1 AFCSGZQBWPLSJY-WVSUBDOOSA-N 50196554 CHEMBL428716::ethyl 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196554 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196554&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11978310 104078270 CHEMBL428716 ZINC28817673 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362649 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C21H25N7O6/c29-8-12-14(30)15(31)18(34-12)27-9-22-13-16(26-21-3-1-10(5-21)2-4-21)24-20(25-17(13)27)28-7-11(6-23-28)19(32)33/h6-7,9-10,12,14-15,18,29-31H,1-5,8H2,(H,32,33)(H,24,25,26)/t10?,12-,14-,15-,18-,21?/m1/s1 QYRXVODTTSPTCR-KLBMMEQYSA-N 50196543 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL394221 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196543&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430188 104078259 CHEMBL394221 ZINC28817664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362654 CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H24N8O6/c1-20-17(31)9-5-22-27(6-9)19-24-15(23-11-3-2-4-32-11)12-16(25-19)26(8-21-12)18-14(30)13(29)10(7-28)33-18/h5-6,8,10-11,13-14,18,28-30H,2-4,7H2,1H3,(H,20,31)(H,23,24,25)/t10-,11-,13-,14-,18-/m1/s1 LCYKPFSTUQZFII-GBUDDTMKSA-N 50196545 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL232099 Adenosine receptor A2a Homo sapiens 726 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196545&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430156 104078261 CHEMBL232099 ZINC28817612 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362657 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CCC(CC3)C4)nc(nc12)-n1cccn1 InChI=1S/C20H25N7O4/c28-9-12-14(29)15(30)18(31-12)26-10-21-13-16(25-20-4-2-11(8-20)3-5-20)23-19(24-17(13)26)27-7-1-6-22-27/h1,6-7,10-12,14-15,18,28-30H,2-5,8-9H2,(H,23,24,25)/t11?,12-,14-,15-,18-,20?/m1/s1 WIEQHMVCAWHWJC-HRXWTSITSA-N 50196560 (2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-1-ylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL399214 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196560&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430192 104078276 CHEMBL399214 ZINC28817670 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362658 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccncc3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C19H20N8O5/c28-7-10-5-22-27(6-10)19-24-16(23-11-1-3-20-4-2-11)13-17(25-19)26(9-21-13)18-15(31)14(30)12(8-29)32-18/h1-6,9,12,14-15,18,28-31H,7-8H2,(H,20,23,24,25)/t12-,14-,15-,18-/m1/s1 PIOQPIHAFHAILU-SCFUHWHPSA-N 50196561 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyridin-4-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL399621 Adenosine receptor A2a Homo sapiens 1480 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196561&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430209 104078277 CHEMBL399621 ZINC28817687 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362663 CNC(=O)c1cnn(c1)-c1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O5/c1-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-2-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1 PCYVLFCVZVITGZ-KHTYJDQRSA-N 50196565 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL393916 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196565&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11978309 104078281 CHEMBL393916 ZINC28817674 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362664 CCOC(=O)c1cnn(c1)-c1nc(NC23CCC(CC2)C3)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C23H29N7O6/c1-2-35-21(34)13-8-25-30(9-13)22-26-18(28-23-5-3-12(7-23)4-6-23)15-19(27-22)29(11-24-15)20-17(33)16(32)14(10-31)36-20/h8-9,11-12,14,16-17,20,31-33H,2-7,10H2,1H3,(H,26,27,28)/t12?,14-,16-,17-,20-,23?/m1/s1 FVGBWQOWJZDNIS-VIUNQPMXSA-N 50196566 CHEMBL234974::ethyl 1-(6-(bicyclo[2.2.1]heptan-1-ylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430187 104078282 CHEMBL234974 ZINC28817663 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362665 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1 InChI=1S/C18H23N7O4/c26-8-11-13(27)14(28)17(29-11)24-9-19-12-15(21-10-4-1-2-5-10)22-18(23-16(12)24)25-7-3-6-20-25/h3,6-7,9-11,13-14,17,26-28H,1-2,4-5,8H2,(H,21,22,23)/t11-,13-,14-,17-/m1/s1 GCCHNJBHBGZOBQ-LSCFUAHRSA-N 50196549 (2R,3R,4S,5R)-2-(6-(cyclopentylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL393172 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196549&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11978421 104078265 CHEMBL393172 ZINC28817660 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362669 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ncc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C22H21N9O5/c32-8-11-5-25-31(7-11)22-28-18(27-21-23-6-12-3-1-2-4-13(12)26-21)15-19(29-22)30(10-24-15)20-17(35)16(34)14(9-33)36-20/h1-7,10,14,16-17,20,32-35H,8-9H2,(H,23,26,27,28,29)/t14-,16-,17-,20-/m1/s1 JTJKCSSYQFNNON-WVSUBDOOSA-N 50196544 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(quinazolin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL429619 Adenosine receptor A2a Homo sapiens 357 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196544&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430235 104078260 CHEMBL429619 ZINC28817738 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362674 CCOC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H27N7O6/c1-2-33-20(32)11-7-23-28(8-11)21-25-17(24-12-5-3-4-6-12)14-18(26-21)27(10-22-14)19-16(31)15(30)13(9-29)34-19/h7-8,10,12-13,15-16,19,29-31H,2-6,9H2,1H3,(H,24,25,26)/t13-,15-,16-,19-/m1/s1 JLJZTCJMQJJETK-NVQRDWNXSA-N 50196563 CHEMBL392958::ethyl 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196563&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11977965 104078279 CHEMBL392958 ZINC28817657 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362678 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1 InChI=1S/C25H27ClN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 OHRYHPLEBPUQQU-BNCYDMKUSA-N 50196548 CHEMBL231881::N-(4-chlorobenzyl)-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196548&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430170 104078264 CHEMBL231881 ZINC28817636 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362684 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc4ccccc4n3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C23H22N8O5/c32-9-12-7-25-31(8-12)23-28-20(27-16-6-5-13-3-1-2-4-14(13)26-16)17-21(29-23)30(11-24-17)22-19(35)18(34)15(10-33)36-22/h1-8,11,15,18-19,22,32-35H,9-10H2,(H,26,27,28,29)/t15-,18-,19-,22-/m1/s1 SRIBBZYPMCZTHH-CIVUBGFFSA-N 50196571 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(quinolin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL232096 Adenosine receptor A2a Homo sapiens 239 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196571&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430231 104078287 CHEMBL232096 ZINC28817735 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362694 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C19H23N7O6/c27-7-11-13(28)14(29)17(32-11)25-8-20-12-15(22-10-3-1-2-4-10)23-19(24-16(12)25)26-6-9(5-21-26)18(30)31/h5-6,8,10-11,13-14,17,27-29H,1-4,7H2,(H,30,31)(H,22,23,24)/t11-,13-,14-,17-/m1/s1 KQNIKZQXSHVQCH-LSCFUAHRSA-N 50196556 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL232670 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196556&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11977966 104078272 CHEMBL232670 ZINC28817650 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362697 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(F)cc1 InChI=1S/C25H27FN8O6/c26-15-5-3-13(4-6-15)8-27-23(38)14-9-29-34(10-14)25-31-21(30-17-2-1-7-39-17)18-22(32-25)33(12-28-18)24-20(37)19(36)16(11-35)40-24/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 PLHMVORQBRPVOS-BNCYDMKUSA-N 50196573 CHEMBL234779::N-(4-fluorobenzyl)-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196573&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430169 104078289 CHEMBL234779 ZINC28817633 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362699 CCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H26N8O6/c1-2-21-18(32)10-6-23-28(7-10)20-25-16(24-12-4-3-5-33-12)13-17(26-20)27(9-22-13)19-15(31)14(30)11(8-29)34-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t11-,12-,14-,15-,19-/m1/s1 DAAJKUPTRGODPS-FSVZYJJUSA-N 50196572 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232100 Adenosine receptor A2a Homo sapiens 1410 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196572&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430158 104078288 CHEMBL232100 ZINC28817615 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362709 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccccc1 InChI=1S/C25H28N8O6/c34-12-16-19(35)20(36)24(39-16)32-13-27-18-21(29-17-7-4-8-38-17)30-25(31-22(18)32)33-11-15(10-28-33)23(37)26-9-14-5-2-1-3-6-14/h1-3,5-6,10-11,13,16-17,19-20,24,34-36H,4,7-9,12H2,(H,26,37)(H,29,30,31)/t16-,17-,19-,20-,24-/m1/s1 HUBYSDJAVMTPID-BNCYDMKUSA-N 50196569 CHEMBL232516::N-benzyl-1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196569&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430165 104078285 CHEMBL232516 ZINC28817627 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362712 CCOC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H25N7O7/c1-2-32-19(31)10-6-22-27(7-10)20-24-16(23-12-4-3-5-33-12)13-17(25-20)26(9-21-13)18-15(30)14(29)11(8-28)34-18/h6-7,9,11-12,14-15,18,28-30H,2-5,8H2,1H3,(H,23,24,25)/t11-,12-,14-,15-,18-/m1/s1 QOUQHQPJIVDJRV-AJKMGBEJSA-N 50196552 CHEMBL398588::ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate Adenosine receptor A2a Homo sapiens 2410 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196552&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430154 104078268 CHEMBL398588 ZINC28817609 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362716 CNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C20H26N8O5/c1-21-18(32)10-6-23-28(7-10)20-25-16(24-11-4-2-3-5-11)13-17(26-20)27(9-22-13)19-15(31)14(30)12(8-29)33-19/h6-7,9,11-12,14-15,19,29-31H,2-5,8H2,1H3,(H,21,32)(H,24,25,26)/t12-,14-,15-,19-/m1/s1 XNMZVFLCYIWGKD-QEPJRFBGSA-N 50196546 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide::CHEMBL400034 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196546&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11978313 104078262 CHEMBL400034 ZINC28817643 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362721 CCCNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O6/c1-2-5-22-19(33)11-7-24-29(8-11)21-26-17(25-13-4-3-6-34-13)14-18(27-21)28(10-23-14)20-16(32)15(31)12(9-30)35-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t12-,13-,15-,16-,20-/m1/s1 ZRLPTCCUBMDYAF-DBKKVMMFSA-N 50196570 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-propyl-1H-pyrazole-4-carboxamide::CHEMBL232313 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196570&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430160 104078286 CHEMBL232313 ZINC28817617 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362722 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(cc3)C(F)(F)F)nc(nc12)-n1cc(CO)cn1 InChI=1S/C21H20F3N7O5/c22-21(23,24)11-1-3-12(4-2-11)27-17-14-18(29-20(28-17)31-6-10(7-32)5-26-31)30(9-25-14)19-16(35)15(34)13(8-33)36-19/h1-6,9,13,15-16,19,32-35H,7-8H2,(H,27,28,29)/t13-,15-,16-,19-/m1/s1 HOXSBAHBHXSZAI-NVQRDWNXSA-N 50196547 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(4-(trifluoromethyl)phenylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL392742 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196547&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430203 104078263 CHEMBL392742 ZINC28817680 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362737 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc(C)cc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C23H26N8O5/c1-3-24-21(35)13-8-26-31(9-13)23-28-19(27-14-6-4-12(2)5-7-14)16-20(29-23)30(11-25-16)22-18(34)17(33)15(10-32)36-22/h4-9,11,15,17-18,22,32-34H,3,10H2,1-2H3,(H,24,35)(H,27,28,29)/t15-,17-,18-,22-/m1/s1 LYQNYMHCYLJLJU-UVLLPENVSA-N 50196558 1-(6-(p-toluidino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232512 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196558&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430239 104078274 CHEMBL232512 ZINC28817744 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362739 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cnccn3)nc(nc12)-n1cc(CO)cn1 InChI=1S/C18H19N9O5/c28-6-9-3-22-27(5-9)18-24-15(23-11-4-19-1-2-20-11)12-16(25-18)26(8-21-12)17-14(31)13(30)10(7-29)32-17/h1-5,8,10,13-14,17,28-31H,6-7H2,(H,20,23,24,25)/t10-,13-,14-,17-/m1/s1 QUYKWNNCIUPGEA-IWCJZZDYSA-N 50196538 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-6-(pyrazin-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL429073 Adenosine receptor A2a Homo sapiens 1170 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196538 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196538&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430232 104078254 CHEMBL429073 ZINC28817736 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362747 NC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C19H24N8O5/c20-15(31)9-5-22-27(6-9)19-24-16(23-10-3-1-2-4-10)12-17(25-19)26(8-21-12)18-14(30)13(29)11(7-28)32-18/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H2,20,31)(H,23,24,25)/t11-,13-,14-,18-/m1/s1 UFDQVJFJDZEQQW-XWXWGSFUSA-N 50196557 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxamide::CHEMBL232482 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196557&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11977967 104078273 CHEMBL232482 ZINC28817654 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362748 CCOC(=O)c1ccc(CNC(=O)c2cnn(c2)-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 InChI=1S/C28H32N8O8/c1-2-42-27(41)16-7-5-15(6-8-16)10-29-25(40)17-11-31-36(12-17)28-33-23(32-19-4-3-9-43-19)20-24(34-28)35(14-30-20)26-22(39)21(38)18(13-37)44-26/h5-8,11-12,14,18-19,21-22,26,37-39H,2-4,9-10,13H2,1H3,(H,29,40)(H,32,33,34)/t18-,19-,21-,22-,26-/m1/s1 NZSNQQHXVRYBPM-QVCZLDJNSA-N 50196553 CHEMBL393295::ethyl 4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamido)methyl)benzoate Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196553&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430171 104078269 CHEMBL393295 ZINC28817638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362750 CCNC(=O)c1cnn(c1)-c1nc(Nc2ccc3ccccc3n2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C25H25N9O5/c1-2-26-23(38)14-9-28-34(10-14)25-31-21(30-17-8-7-13-5-3-4-6-15(13)29-17)18-22(32-25)33(12-27-18)24-20(37)19(36)16(11-35)39-24/h3-10,12,16,19-20,24,35-37H,2,11H2,1H3,(H,26,38)(H,29,30,31,32)/t16-,19-,20-,24-/m1/s1 JHKPUCDPSAIDJZ-UFRIGAJXSA-N 50196555 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-(quinolin-2-ylamino)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL232513 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196555&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430241 104078271 CHEMBL232513 ZINC28817747 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362751 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3cc(ccn3)C(O)=O)nc(nc12)-n1cc(CO)cn1 InChI=1S/C20H20N8O7/c29-6-9-4-23-28(5-9)20-25-16(24-12-3-10(19(33)34)1-2-21-12)13-17(26-20)27(8-22-13)18-15(32)14(31)11(7-30)35-18/h1-5,8,11,14-15,18,29-32H,6-7H2,(H,33,34)(H,21,24,25,26)/t11-,14-,15-,18-/m1/s1 CUROGMTXGMQNAS-XKLVTHTNSA-N 50196562 2-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)-9H-purin-6-ylamino)isonicotinic acid::CHEMBL393185 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196562&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430236 104078278 CHEMBL393185 ZINC28817739 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362752 CCNC(=O)c1cnn(c1)-c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C21H28N8O5/c1-2-22-19(33)11-7-24-29(8-11)21-26-17(25-12-5-3-4-6-12)14-18(27-21)28(10-23-14)20-16(32)15(31)13(9-30)34-20/h7-8,10,12-13,15-16,20,30-32H,2-6,9H2,1H3,(H,22,33)(H,25,26,27)/t13-,15-,16-,20-/m1/s1 JXSHOKDGHBUWCG-KHTYJDQRSA-N 50196541 1-(6-(cyclopentylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-ethyl-1H-pyrazole-4-carboxamide::CHEMBL391208 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196541 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196541&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430177 104078257 CHEMBL391208 ZINC28817644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362753 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(O)=O InChI=1S/C18H21N7O7/c26-6-9-12(27)13(28)16(32-9)24-7-19-11-14(21-10-2-1-3-31-10)22-18(23-15(11)24)25-5-8(4-20-25)17(29)30/h4-5,7,9-10,12-13,16,26-28H,1-3,6H2,(H,29,30)(H,21,22,23)/t9-,10-,12-,13-,16-/m1/s1 RNCQMPBQKBPUPQ-ZGOQAQPGSA-N 50196559 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid::CHEMBL232515 Adenosine receptor A2a Homo sapiens >4000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196559&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430163 104078275 CHEMBL232515 ZINC28817624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50362757 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1 FTIBWMISNBSPGI-BNCYDMKUSA-N 50196542 4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-1H-pyrazole-4-carboxamido)methyl)benzoic acid::CHEMBL393496 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2006.09.065 10.7270/Q2KK9BDP 17045477 Elzein, E; Kalla, R; Li, X; Perry, T; Marquart, T; Micklatcher, M; Li, Y; Wu, Y; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50196542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50196542&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44430173 104078258 CHEMBL393496 ZINC28817639 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351116 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 7900 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351120 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccccc3)nc3ccccc3n2c1=O InChI=1S/C23H17N5O3/c1-31-17-13-11-16(12-14-17)28-23(30)27-19-10-6-5-9-18(19)24-20(21(27)26-28)25-22(29)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25,29) URGSNTSTFBCWKA-UHFFFAOYSA-N 50189807 4-benzamido-2-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL209943 Adenosine receptor A2a Homo sapiens 3585 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189807&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11560605 104073304 CHEMBL209943 ZINC34800816 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359738 Cc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1ccccc1 InChI=1S/C19H15N3/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)22-19(21)17(16)12-20/h2-11H,1H3,(H2,21,22) ADSZRHDJWBZORK-UHFFFAOYSA-N 50194811 2-amino-6-phenyl-4-p-tolylnicotinonitrile::CHEMBL376920 Adenosine receptor A2a Homo sapiens 118 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194811&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 695136 104077000 CHEMBL376920 ZINC19818501 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359739 COc1cccc(c1)-c1cc(nc(NCc2ccc(F)cc2)n1)C(F)(F)F InChI=1S/C19H15F4N3O/c1-27-15-4-2-3-13(9-15)16-10-17(19(21,22)23)26-18(25-16)24-11-12-5-7-14(20)8-6-12/h2-10H,11H2,1H3,(H,24,25,26) MZTFCUSRGDDALU-UHFFFAOYSA-N 50194812 CHEMBL220287::N-(4-fluorobenzyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15987740 104077001 CHEMBL220287 ZINC04757753 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359740 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc1 InChI=1S/C16H11F4N3S/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23) PQDOHPTXMGWBDW-UHFFFAOYSA-N 50194813 CHEMBL221220::N-(4-fluorobenzyl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A2a Homo sapiens 287 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194813&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4382765 104077002 CHEMBL221220 ZINC03894542 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359742 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1ccccc1 InChI=1S/C18H12FN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) BEDLZHWQNOIFFN-UHFFFAOYSA-N 50194814 2-amino-4-(4-fluorophenyl)-6-phenylnicotinonitrile::CHEMBL412622 Adenosine receptor A2a Homo sapiens 87 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194814&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 917384 104077003 CHEMBL412622 ZINC19708593 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359743 CCSc1nc(N)nc(n1)-c1ccccc1 InChI=1S/C11H12N4S/c1-2-16-11-14-9(13-10(12)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15) UMHVGNHYSDRNNN-UHFFFAOYSA-N 50194815 4-(ethylthio)-6-phenyl-1,3,5-triazin-2-amine::CHEMBL220445 Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194815&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420099 104077004 CHEMBL220445 ZINC36124130 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359745 Nc1nc(cc(-c2ccccc2Cl)c1C#N)-c1ccccc1 InChI=1S/C18H12ClN3/c19-16-9-5-4-8-13(16)14-10-17(12-6-2-1-3-7-12)22-18(21)15(14)11-20/h1-10H,(H2,21,22) DOTFDSKMEYTLRC-UHFFFAOYSA-N 50194817 2-amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile::CHEMBL220684 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 916396 104077006 CHEMBL220684 ZINC19707370 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359749 Nc1nc(cc(-c2ccc(Cl)c(Cl)c2)c1C#N)-c1cccnc1 InChI=1S/C17H10Cl2N4/c18-14-4-3-10(6-15(14)19)12-7-16(11-2-1-5-22-9-11)23-17(21)13(12)8-20/h1-7,9H,(H2,21,23) GYJDRNKSYOJANZ-UHFFFAOYSA-N 50194820 2-amino-4-(3,4-dichlorophenyl)-6-(pyridin-3-yl)nicotinonitrile::CHEMBL448781 Adenosine receptor A2a Homo sapiens 210 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194820&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4480217 104077009 CHEMBL448781 ZINC34943630 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359751 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1Cl InChI=1S/C18H11Cl2N3/c19-12-7-5-11(6-8-12)14-9-17(23-18(22)15(14)10-21)13-3-1-2-4-16(13)20/h1-9H,(H2,22,23) PPNTZGRFYNKJDB-UHFFFAOYSA-N 50194819 2-amino-6-(2-chlorophenyl)-4-(4-chlorophenyl)nicotinonitrile::CHEMBL375764 Adenosine receptor A2a Homo sapiens 403 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3751417 104077008 CHEMBL375764 ZINC20389401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359756 CSc1nc(N)nc(n1)-c1cccc(c1)-c1ccc2[nH]ccc2c1 InChI=1S/C18H15N5S/c1-24-18-22-16(21-17(19)23-18)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-20-15/h2-10,20H,1H3,(H2,19,21,22,23) LXETVWABBHSXHN-UHFFFAOYSA-N 50194824 4-(3-(1H-indol-5-yl)phenyl)-6-(methylthio)-1,3,5-triazin-2-amine::CHEMBL373827 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194824&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420101 104077013 CHEMBL373827 ZINC36124135 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359757 Nc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1 InChI=1S/C18H12ClN3/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)22-18(21)16(15)11-20/h1-10H,(H2,21,22) DTFPADSQKJTDTO-UHFFFAOYSA-N 50194823 2-amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile::CHEMBL223828 Adenosine receptor A2a Homo sapiens 201 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194823&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 711464 104077012 CHEMBL223828 ZINC20389414 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359758 COc1ccc(cn1)-c1cccc(c1)-c1nc(N)nc(SC)n1 InChI=1S/C16H15N5OS/c1-22-13-7-6-12(9-18-13)10-4-3-5-11(8-10)14-19-15(17)21-16(20-14)23-2/h3-9H,1-2H3,(H2,17,19,20,21) ZEZVHWWBCFDUHN-UHFFFAOYSA-N 50194818 4-(3-(6-methoxypyridin-3-yl)phenyl)-6-(methylthio)-1,3,5-triazin-2-amine::CHEMBL426530 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44420100 104077007 CHEMBL426530 ZINC36124132 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359759 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccccc2)cc1 InChI=1S/C18H13F4N3/c19-14-8-6-12(7-9-14)11-23-17-24-15(13-4-2-1-3-5-13)10-16(25-17)18(20,21)22/h1-10H,11H2,(H,23,24,25) SVNVSTDRFRAKND-UHFFFAOYSA-N 50194816 CHEMBL221219::N-(4-fluorobenzyl)-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A2a Homo sapiens 287 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 4412077 104077005 CHEMBL221219 ZINC00213184 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359761 Nc1nc(cc(-c2ccc(F)cc2)c1C#N)C1CC1 InChI=1S/C15H12FN3/c16-11-5-3-9(4-6-11)12-7-14(10-1-2-10)19-15(18)13(12)8-17/h3-7,10H,1-2H2,(H2,18,19) QPYANFLUOHWHOF-UHFFFAOYSA-N 50194825 2-amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile::CHEMBL220118 Adenosine receptor A2a Homo sapiens 106 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194825&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 686655 104077014 CHEMBL220118 ZINC19708474 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359764 CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1 InChI=1S/C20H17N3O3/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(23-20(22)16(15)11-21)12-3-6-14(24)7-4-12/h3-10,24-25H,2H2,1H3,(H2,22,23) IWPRRVSKUNQSTO-UHFFFAOYSA-N 50194821 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile::CHEMBL222201 Adenosine receptor A2a Homo sapiens 267 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5413153 104077010 CHEMBL222201 ZINC19095802 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359765 COc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1 InChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22) WQBPXJSWOBGZJK-UHFFFAOYSA-N 50194822 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile::CHEMBL375164 Adenosine receptor A2a Homo sapiens 151 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194822&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 5413148 104077011 CHEMBL375164 ZINC13126436 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359766 Nc1nc2CCCc2c(-c2ccc(F)cc2)c1C#N InChI=1S/C15H12FN3/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(11)19-15(18)12(14)8-17/h4-7H,1-3H2,(H2,18,19) ODNMTXWVAZKNSM-UHFFFAOYSA-N 50194826 2-amino-4-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile::CHEMBL221155::cid_684194 Adenosine receptor A2a Homo sapiens 232 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194826&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 684194 104077015 CHEMBL221155 ZINC19805507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50359769 Fc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1 InChI=1S/C18H12ClF4N3/c19-13-5-3-12(4-6-13)15-9-16(18(21,22)23)26-17(25-15)24-10-11-1-7-14(20)8-2-11/h1-9H,10H2,(H,24,25,26) ZXRJQUVTVUVZRP-UHFFFAOYSA-N 50194827 CHEMBL374236::N-(4-fluorobenzyl)-4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine Adenosine receptor A2a Homo sapiens 454 ChEMBL 10.1016/j.bmcl.2006.08.116 10.7270/Q2J102TH 16971117 Richardson, CM; Gillespie, RJ; Williamson, DS; Jordan, AM; Fink, A; Knight, AR; Sellwood, DM; Misra, A Vernalis (R&D) Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194827&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15987727 104077016 CHEMBL374236 ZINC04757711 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351126 CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24) KTKFGKLOHICPDE-UHFFFAOYSA-N 50189809 CHEMBL378514::N-(6-amino-1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 6250 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11660022 104073306 CHEMBL378514 ZINC34800801 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351136 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351149 Nc1cccc2c1nc(NC(=O)C(c1ccccc1)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 InChI=1S/C29H22N6O2/c30-22-17-10-18-23-25(22)31-26(27-33-35(29(37)34(23)27)21-15-8-3-9-16-21)32-28(36)24(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-18,24H,30H2,(H,31,32,36) CVTMECIYXVPNLC-UHFFFAOYSA-N 50189817 6-amino-1,2-dihydro-2-phenyl-4-diphenylacetamido-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL380031 Adenosine receptor A2a Homo sapiens 627 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11554879 104073314 CHEMBL380031 ZINC34800800 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351150 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 21000 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351151 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 337 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351157 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)C(c1ccccc1)c1ccccc1 InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35) LIKNBEXRGCISBC-UHFFFAOYSA-N 50189810 CHEMBL209927::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide Adenosine receptor A2a Homo sapiens 1160 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189810&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11641365 104073307 CHEMBL209927 ZINC34800775 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351158 CC(=O)Nc1nc2c(N)cccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C17H14N6O2/c1-10(24)19-15-16-21-23(11-6-3-2-4-7-11)17(25)22(16)13-9-5-8-12(18)14(13)20-15/h2-9H,18H2,1H3,(H,19,20,24) KTKFGKLOHICPDE-UHFFFAOYSA-N 50189809 CHEMBL378514::N-(6-amino-1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 367 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189809&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11660022 104073306 CHEMBL378514 ZINC34800801 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351165 COc1ccc(cc1)-n1nc2c(nc3ccccc3n2c1=O)N(C(=O)c1ccccc1)C(=O)c1ccccc1 InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3 GTRCYAYRRCMTDF-UHFFFAOYSA-N 50189812 CHEMBL212458::N-benzoyl-N-[2-(4-methoxy-phenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-benzamide Adenosine receptor A2a Homo sapiens 6570 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11533636 104073309 CHEMBL212458 ZINC34621303 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351175 Nc1cccc2c1nc(NC(=O)c1ccccc1)c1nn(-c3ccccc3)c(=O)n21 InChI=1S/C22H16N6O2/c23-16-12-7-13-17-18(16)24-19(25-21(29)14-8-3-1-4-9-14)20-26-28(22(30)27(17)20)15-10-5-2-6-11-15/h1-13H,23H2,(H,24,25,29) UNGYPXFMYYJLOR-UHFFFAOYSA-N 50189819 6-amino-4-benzamido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL211183 Adenosine receptor A2a Homo sapiens 4850 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11531355 104073316 CHEMBL211183 ZINC34800791 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351179 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28) HTBRQSCIUVUCRL-UHFFFAOYSA-N 50086159 CHEMBL16488::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-benzamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide Adenosine receptor A2a Homo sapiens 88.2 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086159&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10619822 103985551 CHEMBL16488 ZINC13806267 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50351184 COc1ccc(cc1)-n1nc2c(NC(C)=O)nc3c(N)cccc3n2c1=O InChI=1S/C18H16N6O3/c1-10(25)20-16-17-22-24(11-6-8-12(27-2)9-7-11)18(26)23(17)14-5-3-4-13(19)15(14)21-16/h3-9H,19H2,1-2H3,(H,20,21,25) AJAKSDKKOWTRGD-UHFFFAOYSA-N 50189811 CHEMBL210642::N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1021/jm060373w 10.7270/Q25H7FW1 16789747 Lenzi, O; Colotta, V; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Varani, K; Marighetti, F; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189811&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11595710 104073308 CHEMBL210642 ZINC34800776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352259 OCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N9O3/c28-8-7-26-10-12-14(24-26)22-17(23-18(29)20-11-3-5-19-6-4-11)27-16(12)21-15(25-27)13-2-1-9-30-13/h1-6,9-10,28H,7-8H2,(H2,19,20,22,23,24,29) JNAFDYCCZRUJGX-UHFFFAOYSA-N 50190437 1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL211841 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190437&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11524264 104073740 CHEMBL211841 ZINC34800794 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352294 O=C(Nc1ccncc1)Nc1nc2nn(CCCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C26H23N9O3/c36-26(28-19-9-11-27-12-10-19)31-25-30-22-20(24-29-23(33-35(24)25)21-8-4-15-38-21)16-34(32-22)13-5-14-37-17-18-6-2-1-3-7-18/h1-4,6-12,15-16H,5,13-14,17H2,(H2,27,28,30,31,32,36) XHQMRBIQONBIFX-UHFFFAOYSA-N 50190433 5-[[(4-pyridyl)amino]carbonyl]amino-[8-(3-benzyloxypropyl)-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine::CHEMBL208686 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190433&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11511804 104073736 CHEMBL208686 ZINC34800777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352301 OCCCn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1 InChI=1S/C19H17N9O3/c29-9-2-8-27-11-13-15(25-27)23-18(24-19(30)21-12-4-6-20-7-5-12)28-17(13)22-16(26-28)14-3-1-10-31-14/h1,3-7,10-11,29H,2,8-9H2,(H2,20,21,23,24,25,30) GFZYPXHAEKVIKQ-UHFFFAOYSA-N 50190451 1-[2-furan-2-yl-8-(3-hydroxy-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL211341 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190451&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11711438 104073754 CHEMBL211341 ZINC34636292 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352302 O=C(Nc1cccnc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C25H21N9O3/c35-25(27-18-8-4-10-26-14-18)30-24-29-21-19(23-28-22(32-34(23)24)20-9-5-12-37-20)15-33(31-21)11-13-36-16-17-6-2-1-3-7-17/h1-10,12,14-15H,11,13,16H2,(H2,27,29,30,31,35) FDIOKJLMNKSHOJ-UHFFFAOYSA-N 50190434 1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-3-yl-urea::CHEMBL209479 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190434&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11684672 104073737 CHEMBL209479 ZINC34800793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352314 OCCn1cc2c(n1)nc(NC(=O)Nc1cccnc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H15N9O3/c28-7-6-26-10-12-14(24-26)22-17(23-18(29)20-11-3-1-5-19-9-11)27-16(12)21-15(25-27)13-4-2-8-30-13/h1-5,8-10,28H,6-7H2,(H2,20,22,23,24,29) FJAUCAZBRUCCMC-UHFFFAOYSA-N 50190439 1-[2-furan-2-yl-8-(2-hydroxy-ethyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-3-yl-urea::CHEMBL212268 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190439&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11517013 104073742 CHEMBL212268 ZINC34800806 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50352324 O=C(Nc1ccncc1)Nc1nc2nn(CCOCc3ccccc3)cc2c2nc(nn12)-c1ccco1 InChI=1S/C25H21N9O3/c35-25(27-18-8-10-26-11-9-18)30-24-29-21-19(23-28-22(32-34(23)24)20-7-4-13-37-20)15-33(31-21)12-14-36-16-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H2,26,27,29,30,31,35) KEOFEPBQPNRHDK-UHFFFAOYSA-N 50190443 1-[8-(2-benzyloxy-ethyl)-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-pyridin-4-yl-urea::CHEMBL377248 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051112+ 10.7270/Q2KK9BC7 16821770 Tafi, A; Bernardini, C; Botta, M; Corelli, F; Andreini, M; Martinelli, A; Ortore, G; Baraldi, PG; Fruttarolo, F; Borea, PA; Tuccinardi, T Università degli Studi di Siena http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50190443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50190443&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11555032 104073746 CHEMBL377248 ZINC34800796 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349122 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2OC)c1 InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-8-6-7-9-17(15)31-3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) BXQRCUSBUDNKKE-UHFFFAOYSA-N 50188545 8-(1-(2-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380219 Adenosine receptor A2a Homo sapiens 140 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188545&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11582578 104072332 CHEMBL380219 ZINC35860913 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349123 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C)c1 InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-9-7-6-8-15(16)3/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) CURJJPJNMIVODA-UHFFFAOYSA-N 50188546 8-(1-(2-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210747 Adenosine receptor A2a Homo sapiens 51 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188546&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11495161 104072333 CHEMBL210747 ZINC36124066 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349126 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2Cl)c1 InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) ARWUBYOBJLESLG-UHFFFAOYSA-N 50188552 8-(1-(2-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378652 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188552 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188552&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11495611 104072339 CHEMBL378652 ZINC36124083 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349136 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 6700 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349137 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)cc2)c1 InChI=1S/C21H23ClN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) YOLKEFKOWBQNMM-UHFFFAOYSA-N 50188559 8-(1-(4-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL380284 Adenosine receptor A2a Homo sapiens 88 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188559&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11582697 104072345 CHEMBL380284 ZINC35861146 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349138 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(OC)c2)c1 InChI=1S/C22H26N6O3/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-7-6-8-17(11-15)31-3/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25) RUBSVJWXHRWCSY-UHFFFAOYSA-N 50188543 8-(1-(3-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210150 Adenosine receptor A2a Homo sapiens 70 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188543&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11524637 104072330 CHEMBL210150 ZINC36124068 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349139 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(c1)-c1ccccc1 InChI=1S/C20H22N6O2/c1-3-10-24-18-16(19(27)25(11-4-2)20(24)28)22-17(23-18)14-12-21-26(13-14)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23) XHAWSVGLZHETMF-UHFFFAOYSA-N 50188560 8-(1-phenyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL209831 Adenosine receptor A2a Homo sapiens 560 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188560&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11545341 104072346 CHEMBL209831 ZINC34660325 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349140 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)nn1C InChI=1S/C25H31N7O5/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-14-19(29-30(16)3)26-20(33)13-15-8-9-17(36-4)18(12-15)37-5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,27,28)(H,26,29,33) CHXXPRACCKMCBL-UHFFFAOYSA-N 50229886 2-(3,4-Dimethoxy-phenyl)-N-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]-acetamide::2-(3,4-dimethoxyphenyl)-N-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl)acetamide::CHEMBL408186 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229886&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10128387 104098217 CHEMBL408186 ZINC13559731 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349141 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) NJXVKVMVLZPERB-UHFFFAOYSA-N 50233076 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251869 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233076&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11654460 104055642 CHEMBL251869 ZINC29037253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349145 CCCCn1c2nc([nH]c2c(=O)n(CCCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-3-5-12-28-21-19(22(30)29(23(28)31)13-6-4-2)25-20(26-21)18-14-24-27(16-18)15-17-10-8-7-9-11-17/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,25,26) KTFZMFONLBKWAM-UHFFFAOYSA-N 50188564 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dibutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL383201 Adenosine receptor A2a Homo sapiens 890 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188564&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11524593 104072349 CHEMBL383201 ZINC36124060 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349146 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cn[nH]c1 InChI=1S/C14H18N6O2/c1-3-5-19-12-10(13(21)20(6-4-2)14(19)22)17-11(18-12)9-7-15-16-8-9/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18) FJOWCRNUYDSBQY-UHFFFAOYSA-N 50188562 1,3-Dipropyl-8-(1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL380176 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188562&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9839378 104072347 CHEMBL380176 ZINC33980832 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349148 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCc2ccccc2)c1 InChI=1S/C22H26N6O2/c1-3-11-27-20-18(21(29)28(12-4-2)22(27)30)24-19(25-20)17-14-23-26(15-17)13-10-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,25) KIQOQKNHDYBUDJ-UHFFFAOYSA-N 50188544 8-(1-phenethyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL209217 Adenosine receptor A2a Homo sapiens 570 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188544&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11711190 104072331 CHEMBL209217 ZINC34636020 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349150 CCCn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) SIQPXVQCUCHWDI-UHFFFAOYSA-N 50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE Adenosine receptor A2a Homo sapiens 81300 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001493&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1676 103915958 126237 CHEMBL279898 DB00824 ZINC00403567 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349151 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-15(2)11-28-21-19(22(30)29(23(28)31)12-16(3)4)25-20(26-21)18-10-24-27(14-18)13-17-8-6-5-7-9-17/h5-10,14-16H,11-13H2,1-4H3,(H,25,26) RGGJMTLJEXSCMP-UHFFFAOYSA-N 50188550 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL441530 Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188550 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188550&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11582537 104072337 CHEMBL441530 ZINC35860822 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349153 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2F)c1 InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-7-5-6-8-16(14)22/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) IFKRZKUTYVNSLN-UHFFFAOYSA-N 50188558 8-(1-(2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210649 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188558&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11589625 104072344 CHEMBL210649 ZINC35878945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349157 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C17H15FN6O2/c1-22-15-13(16(25)23(2)17(22)26)20-14(21-15)11-7-19-24(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,8H2,1-2H3,(H,20,21) HDWMDKHMNFXXDV-UHFFFAOYSA-N 50236760 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL261722 Adenosine receptor A2a Homo sapiens 200 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50236760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50236760&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11544894 104056368 CHEMBL261722 ZINC29056332 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349158 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) IWZAITCKZZQXCV-UHFFFAOYSA-N 50233081 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL254725 Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233081&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9821879 104055647 CHEMBL254725 ZINC29037241 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349168 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1 InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29) QUPSOSYMAZFQHU-UHFFFAOYSA-N 50188569 8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378598 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188569&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9870396 104072354 CHEMBL378598 ZINC34001287 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349169 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2)c1 InChI=1S/C21H23ClN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) BHVNIIMPUODVIW-UHFFFAOYSA-N 50188570 8-(1-(3-chlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210938 Adenosine receptor A2a Homo sapiens 79 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188570&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11575498 104072355 CHEMBL210938 ZINC35849197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349176 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CCCc2ccccc2)c1 InChI=1S/C23H28N6O2/c1-3-12-28-21-19(22(30)29(13-4-2)23(28)31)25-20(26-21)18-15-24-27(16-18)14-8-11-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,26) VPXWPRCQVKGDRF-UHFFFAOYSA-N 50188566 8-(1-(3-phenylpropyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210319 Adenosine receptor A2a Homo sapiens 220 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188566&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11618633 104072351 CHEMBL210319 ZINC35943565 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349179 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1 InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25) ZGEGHWWAMJAODB-UHFFFAOYSA-N 50188575 8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378570 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188575&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11560510 104072360 CHEMBL378570 ZINC35817178 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349180 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30) PTIXDWKOEDXQSV-UHFFFAOYSA-N 50188555 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208920 Adenosine receptor A2a Homo sapiens 4300 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188555&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11533237 104072342 CHEMBL208920 ZINC36124088 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349185 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C18H15F3N6O2/c1-25-15-13(16(28)26(2)17(25)29)23-14(24-15)11-7-22-27(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,8H2,1-2H3,(H,23,24) BXOBNALLJPAQHL-UHFFFAOYSA-N 50188578 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208824 Adenosine receptor A2a Homo sapiens 690 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188578&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9822488 104072363 CHEMBL208824 ZINC08560063 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349186 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)cc2)c1 InChI=1S/C21H23FN6O2/c1-3-9-27-19-17(20(29)28(10-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-5-7-16(22)8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,25) XTKLYAIJKXTSJD-UHFFFAOYSA-N 50188579 8-(1-(4-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL379474 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188579&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11654461 104072364 CHEMBL379474 ZINC36124056 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349194 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(Cl)ccc2Cl)c1 InChI=1S/C21H22Cl2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-9-15(22)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26) ZTLBDXCSPFQWAK-UHFFFAOYSA-N 50188551 8-(1-(2,5-dichlorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1Hpurine-2,6(3H,7H)-dione::CHEMBL209174 Adenosine receptor A2a Homo sapiens 70 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188551 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188551&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11532717 104072338 CHEMBL209174 ZINC36124063 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349195 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23) FBGQLIIOHSZUSW-UHFFFAOYSA-N 50188547 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL426504 Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188547&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11610638 104072334 CHEMBL426504 ZINC29056337 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349199 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2F)c1 InChI=1S/C22H25FN6O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)25-19(26-20)16-11-24-27(13-16)12-15-8-6-7-14(3)17(15)23/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,25,26) OPFGSHJNMXTVDA-UHFFFAOYSA-N 50188565 8-(1-(2-fluoro-3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210609 Adenosine receptor A2a Homo sapiens 460 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188565&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11611580 104072350 CHEMBL210609 ZINC35933662 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349201 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28) HKRQXRVFKQBLQK-UHFFFAOYSA-N 50188548 8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL207434 Adenosine receptor A2a Homo sapiens 150 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188548 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188548&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11547107 104072335 CHEMBL207434 ZINC34662430 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349204 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(Cl)c2F)c1 InChI=1S/C21H22ClFN6O2/c1-3-8-28-19-17(20(30)29(9-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-6-5-7-15(22)16(13)23/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26) GIBLVHBJGYMTSZ-UHFFFAOYSA-N 50188542 8-(1-(3-chloro-2-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210213 Adenosine receptor A2a Homo sapiens 870 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188542&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11503200 104072329 CHEMBL210213 ZINC36124071 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349206 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28) BVUSWIYHJIKWTL-UHFFFAOYSA-N 50188585 8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL208110 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188585&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11612320 104072369 CHEMBL208110 ZINC35935128 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349210 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) AJBBEYXFRYFVNM-UHFFFAOYSA-N 50086170 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester::CHEMBL1628266::CHEMBL273807::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)::N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 500 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086170&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 6603931 103985562 CHEMBL273807CHEMBL1628266 453 ZINC04475274 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349229 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22) GBLDSVSFGPIOEY-UHFFFAOYSA-N 50188553 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210271 Adenosine receptor A2a Homo sapiens 120 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188553 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188553&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11588630 104072340 CHEMBL210271 ZINC35876813 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349230 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(C)cc2)c1 InChI=1S/C22H26N6O2/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-15(3)7-9-16/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) FHTHVMUNIOLZFP-UHFFFAOYSA-N 50188573 8-(1-(4-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL207524 Adenosine receptor A2a Homo sapiens 80 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188573&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11596614 104072358 CHEMBL207524 ZINC35901389 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349234 CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C23H27FN6O2/c1-14(2)10-29-21-19(22(31)30(23(29)32)11-15(3)4)26-20(27-21)17-9-25-28(13-17)12-16-6-5-7-18(24)8-16/h5-9,13-15H,10-12H2,1-4H3,(H,26,27) JFDKUGGNCNTTKG-UHFFFAOYSA-N 50188549 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diisobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL378743 Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188549 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188549&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11655061 104072336 CHEMBL378743 ZINC36124075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349241 CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26) PJJLCMDBCYNWAQ-UHFFFAOYSA-N 50188583 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210808 Adenosine receptor A2a Homo sapiens 450 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188583&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11690561 104072367 CHEMBL210808 ZINC29056243 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349245 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20) MCZMFSIUZOSVRA-UHFFFAOYSA-N 50188572 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL437301 Adenosine receptor A2a Homo sapiens 3500 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188572&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11493754 104072357 CHEMBL437301 ZINC36176564 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349246 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)cc2)c1 InChI=1S/C22H26N6O3/c1-4-10-27-20-18(21(29)28(11-5-2)22(27)30)24-19(25-20)16-12-23-26(14-16)13-15-6-8-17(31-3)9-7-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,24,25) NKPLNJOYETWKDI-UHFFFAOYSA-N 50188576 8-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL210683 Adenosine receptor A2a Homo sapiens 61 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188576&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11633189 104072361 CHEMBL210683 ZINC35969456 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349248 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(F)c2)c1 InChI=1S/C21H22F2N6O2/c1-3-7-28-19-17(20(30)29(8-4-2)21(28)31)25-18(26-19)14-10-24-27(12-14)11-13-5-6-15(22)16(23)9-13/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,26) PFFIRNYRICYMOH-UHFFFAOYSA-N 50188574 8-(1-(3,4-difluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1Hpurine-2,6(3H,7H)-dione::CHEMBL210212 Adenosine receptor A2a Homo sapiens 280 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50188574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50188574&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11647607 104072359 CHEMBL210212 ZINC35997817 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50349252 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) IDMQLXNSDSLNNR-UHFFFAOYSA-N 50233082 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251870 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1021/jm051268+ 10.7270/Q21V5DMG 16759111 Kalla, RV; Elzein, E; Perry, T; Li, X; Palle, V; Varkhedkar, V; Gimbel, A; Maa, T; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233082&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9890439 104055648 CHEMBL251870 ZINC29037255 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50347303 COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) YJOOJLDFTONSNI-UHFFFAOYSA-N 50187669 CHEMBL207208::N-(4-methoxy-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187669&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11602914 104071534 CHEMBL207208 ZINC13704508 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50347305 C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) VUYDJBYOJKYWBY-UHFFFAOYSA-N 50011596 (2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phenyl-amine::CHEMBL442333::N-phenyl-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A2a Homo sapiens 3150 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011596&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10426659 103924128 CHEMBL442333 ZINC13821062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50347306 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) ULXQEAQZAZBLPR-UHFFFAOYSA-N 50187671 CHEMBL378047::N-(4-chloro-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187671&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11639150 104071536 CHEMBL378047 ZINC13704517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50347308 Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) SYNRBWNXNMPXNT-UHFFFAOYSA-N 50187672 CHEMBL207209::N-(3,4-dichloro-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11553016 104071537 CHEMBL207209 ZINC13704513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50347311 Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) FHLIAQGQHFKJLO-UHFFFAOYSA-N 50187670 CHEMBL210380::N-(4-methyl-phenyl)-2-cyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine Adenosine receptor A2a Homo sapiens 5220 ChEMBL 10.1021/jm060086s 10.7270/Q2K073V0 16722654 Goblyos, A; Gao, ZG; Brussee, J; Connestari, R; Santiago, SN; Ye, K; Ijzerman, AP; Jacobson, KA Leiden University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187670&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11530256 104071535 CHEMBL210380 ZINC13704504 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50374979 CCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C20H17N3/c1-2-18-22-19-16(14-9-5-3-6-10-14)13-17(21-20(19)23-18)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22,23) PMDYRFYZMJGDQY-UHFFFAOYSA-N 50205284 2,6-diphenyl-8-ethyl-1-deazapurine::CHEMBL222130 Adenosine receptor A2a Homo sapiens 177 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205284&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109432 104083683 CHEMBL222130 ZINC28603972 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50374986 CC(C)(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H21N3/c1-22(2,3)21-24-19-17(15-10-6-4-7-11-15)14-18(23-20(19)25-21)16-12-8-5-9-13-16/h4-14H,1-3H3,(H,23,24,25) LYZUCUIUVUYBJL-UHFFFAOYSA-N 50205289 2,6-diphenyl-8-tButyl-1-deazapurine::CHEMBL220053 Adenosine receptor A2a Homo sapiens 1055 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109434 104083688 CHEMBL220053 ZINC34800845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50374991 CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26) GPQRSDCKVYJMOH-UHFFFAOYSA-N 50205285 2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine::CHEMBL385109 Adenosine receptor A2a Homo sapiens 247 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205285&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109429 104083684 CHEMBL385109 ZINC34800844 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50374995 CCCc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H19N3/c1-2-9-19-23-20-17(15-10-5-3-6-11-15)14-18(22-21(20)24-19)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,22,23,24) DBBRCPJIWFJBPI-UHFFFAOYSA-N 50205290 2,6-dphenyl-8-propyl-1-deazapurine::CHEMBL376648 Adenosine receptor A2a Homo sapiens 114 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205290&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109427 104083689 CHEMBL376648 ZINC28603974 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50374997 O=c1[nH]c2nc(cc(-c3ccccc3)c2[nH]1)-c1ccccc1 InChI=1S/C18H13N3O/c22-18-20-16-14(12-7-3-1-4-8-12)11-15(19-17(16)21-18)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22) SHTZPAWLYJASHR-UHFFFAOYSA-N 50205282 5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol::CHEMBL374938 Adenosine receptor A2a Homo sapiens 192 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205282&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11150373 104083681 CHEMBL374938 ZINC34800847 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50375005 Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C19H15N3/c1-13-20-18-16(14-8-4-2-5-9-14)12-17(22-19(18)21-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21,22) HKDKOLLILMBGNN-UHFFFAOYSA-N 50205287 2,6-diphenyl-8-methyl-1-deazapurine::CHEMBL220587 Adenosine receptor A2a Homo sapiens 375 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205287&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109426 104083686 CHEMBL220587 ZINC28603964 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50375007 C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27) DXBBMCIVYYJMJC-UHFFFAOYSA-N 50205283 2,6-diphenyl-8-cyclohexyl-1-deazapurine::CHEMBL219160::LUF-5981 Adenosine receptor A2a Homo sapiens 194 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205283&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109435 104083682 CHEMBL219160 5607 ZINC34800848 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50375008 CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24) REXYMDQLBZWOMA-UHFFFAOYSA-N 50205281 2,6-diphenyl-8-isopropyl-1-deazapurine::CHEMBL221343::LUF-5980 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205281&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109428 104083680 CHEMBL221343 ZINC28603975 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50375009 c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21) JRQCVLBKLGJDMI-UHFFFAOYSA-N 50205279 2,6-diphenyl-1-deazapurine::CHEMBL220535 Adenosine receptor A2a Homo sapiens 39 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205279&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16109423 104083678 CHEMBL220535 ZINC34800849 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50375010 CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1 InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25) PPFWSQNEFCXMGP-UHFFFAOYSA-N 50205280 2,6-diphenyl-8-isobutyl-1-deazapurine::CHEMBL221486::LUF-5978 Adenosine receptor A2a Homo sapiens 189 ChEMBL 10.1021/jm0607956 10.7270/Q2VX0G65 17300165 Chang, LC; von Frijtag Drabbe Kunzel, JK; Mulder-Krieger, T; Westerhout, J; Spangenberg, T; Brussee, J; Ijzerman, AP Leiden/Amsterdam Center for Drug Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50205280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50205280&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44418996 104083679 CHEMBL221486 ZINC34800843 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371934 Nc1nc2n(Cc3ccccc3Cl)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C17H12ClN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22) HZVIDEOYIWWZEF-UHFFFAOYSA-N 50202765 3-(2-chlorobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL245847 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438079 104082150 CHEMBL245847 ZINC28877492 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371935 Cc1ccc(nc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C22H24N10O/c1-15-4-5-17(24-13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(23)32-21(18)26-19(28-32)16-3-2-12-33-16/h2-5,12-14H,6-11H2,1H3,(H2,23,27) NLXPCWCXVPCKFR-UHFFFAOYSA-N 50202767 8-(furan-2-yl)-3-(2-(4-(5-methylpyridin-2-yl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL392169 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10203891 104082152 CHEMBL392169 ZINC28877551 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371936 Nc1nc2n(CCN3CCC(CC3)c3ccc(F)cc3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C23H23FN8O/c24-17-5-3-15(4-6-17)16-7-9-30(10-8-16)11-12-31-14-26-19-21(31)28-23(25)32-22(19)27-20(29-32)18-2-1-13-33-18/h1-6,13-14,16H,7-12H2,(H2,25,28) ZBTZVICVXHBEBE-UHFFFAOYSA-N 50202766 3-(2-(4-(4-fluorophenyl)piperidin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL392168 Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438083 104082151 CHEMBL392168 ZINC28877524 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371937 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1 InChI=1S/C27H30FN9O2/c1-38-15-16-39-22-7-5-21(6-8-22)35-12-9-34(10-13-35)11-14-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)19-3-2-4-20(28)17-19/h2-8,17-18H,9-16H2,1H3,(H2,29,32) QYRBEBQGYZLZSJ-UHFFFAOYSA-N 50202768 8-(3-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246469 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202768&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438089 104082153 CHEMBL246469 ZINC28877569 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371938 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1 InChI=1S/C26H30N10O2/c1-37-16-17-38-20-7-5-19(6-8-20)34-13-10-33(11-14-34)12-15-35-18-29-22-24(35)31-26(27)36-25(22)30-23(32-36)21-4-2-3-9-28-21/h2-9,18H,10-17H2,1H3,(H2,27,31) QWAQFKPHWVBFHJ-UHFFFAOYSA-N 50202770 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-(pyridin-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246675 Adenosine receptor A2a Homo sapiens 12.6 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10118562 104082155 CHEMBL246675 ZINC28877595 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371939 COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1 InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-19(18(26)15-17)33-9-6-32(7-10-33)8-11-34-16-28-21-23(34)30-25(27)35-24(21)29-22(31-35)20-3-2-12-38-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30) BLXXHMCVQQAEGX-UHFFFAOYSA-N 50202769 3-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL245849 Adenosine receptor A2a Homo sapiens 0.8 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44216394 104082154 CHEMBL245849 ZINC13983484 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371940 COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33) CEVZLVZUVYOURC-UHFFFAOYSA-N 50202771 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL391953 Adenosine receptor A2a Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202771&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438082 104082156 CHEMBL391953 ZINC28877512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371941 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) XKKWPFKDCSUYBS-UHFFFAOYSA-N 50202773 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL395472 Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202773&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10278807 104082158 CHEMBL395472 ZINC53188748 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371942 Nc1nc2n(Cc3ccccc3Br)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C17H12BrN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22) VHGZEDINSGODRM-UHFFFAOYSA-N 50202774 3-(2-bromobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL245646 Adenosine receptor A2a Homo sapiens 4.6 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438078 104082159 CHEMBL245646 ZINC28877489 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371943 Nc1nc2n(Cc3ccccc3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C17H13N7O/c18-17-21-15-13(19-10-23(15)9-11-5-2-1-3-6-11)16-20-14(22-24(16)17)12-7-4-8-25-12/h1-8,10H,9H2,(H2,18,21) IRUAHNMKFLMQBX-UHFFFAOYSA-N 50202772 3-benzyl-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL245645 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202772&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438077 104082157 CHEMBL245645 ZINC28877478 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371944 COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27) NDAJDUOUMGSWSD-UHFFFAOYSA-N 50202775 8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL245848 Adenosine receptor A2a Homo sapiens 0.1 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438081 104082160 CHEMBL245848 ZINC28877502 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371945 Nc1nc2n(Cc3ccccc3C(F)(F)F)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C18H12F3N7O/c19-18(20,21)11-5-2-1-4-10(11)8-27-9-23-13-15(27)25-17(22)28-16(13)24-14(26-28)12-6-3-7-29-12/h1-7,9H,8H2,(H2,22,25) KCXCGYNVNMJBKH-UHFFFAOYSA-N 50202776 3-(2-(trifluoromethyl)benzyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL398083 Adenosine receptor A2a Homo sapiens 4.6 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438080 104082161 CHEMBL398083 ZINC28877496 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371946 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21ClFN9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28) QMYWODARURPRIB-UHFFFAOYSA-N 50202777 3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246055 Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202777&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438084 104082162 CHEMBL246055 ZINC28877529 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371947 Nc1nc2n(CCN3CCN(CC3)c3nccs3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C19H20N10OS/c20-18-24-16-14(17-23-15(25-29(17)18)13-2-1-10-30-13)22-12-28(16)9-6-26-4-7-27(8-5-26)19-21-3-11-31-19/h1-3,10-12H,4-9H2,(H2,20,24) HMJRGPIJKOXUBT-UHFFFAOYSA-N 50202782 8-(furan-2-yl)-3-(2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246263 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202782&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438086 104082167 CHEMBL246263 ZINC28877545 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371948 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc[n+]2[O-])CC1 InChI=1S/C26H30N10O3/c1-38-16-17-39-20-7-5-19(6-8-20)33-13-10-32(11-14-33)12-15-34-18-28-22-24(34)30-26(27)36-25(22)29-23(31-36)21-4-2-3-9-35(21)37/h2-9,18H,10-17H2,1H3,(H2,27,30) SOIBSPQXUKWZQX-UHFFFAOYSA-N 50202778 3-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-8-(1-oxy-pyridin-2-yl)-3H-[1,2,4]triazolo[5,1-i]purin-5-ylamine::CHEMBL392386 Adenosine receptor A2a Homo sapiens 89.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438093 104082163 CHEMBL392386 ZINC28877602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371949 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2C)CC1 InChI=1S/C28H33N9O2/c1-20-5-3-4-6-23(20)25-31-27-24-26(32-28(29)37(27)33-25)36(19-30-24)16-13-34-11-14-35(15-12-34)21-7-9-22(10-8-21)39-18-17-38-2/h3-10,19H,11-18H2,1-2H3,(H2,29,32) BQHPBUSZQSIUPM-UHFFFAOYSA-N 50202781 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-o-tolyl-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246674 Adenosine receptor A2a Homo sapiens 20.5 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202781&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438092 104082166 CHEMBL246674 ZINC28877588 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371950 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21F2N9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28) MQXFTELFQRLRDK-UHFFFAOYSA-N 50202779 3-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246053 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202779&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10161974 104082164 CHEMBL246053 ZINC28877517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371951 CCCn1cnc2c1nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C13H13N7O/c1-2-5-19-7-15-9-11(19)17-13(14)20-12(9)16-10(18-20)8-4-3-6-21-8/h3-4,6-7H,2,5H2,1H3,(H2,14,17) NPTQSYGGTNAYGX-UHFFFAOYSA-N 50202780 8-(furan-2-yl)-3-propyl-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL248298 Adenosine receptor A2a Homo sapiens 5.9 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202780&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20605044 104082165 CHEMBL248298 ZINC28877464 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371952 Nc1nc2n(CCc3ccccc3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-14(17-21-15(23-25(17)18)13-7-4-10-26-13)20-11-24(16)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,19,22) RHBOBDSHEUCLNL-UHFFFAOYSA-N 50202784 8-(furan-2-yl)-3-phenethyl-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL398046 Adenosine receptor A2a Homo sapiens 4.1 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202784&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438075 104082169 CHEMBL398046 ZINC28877473 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371953 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cn3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C21H21ClN10O/c22-14-3-4-16(24-12-14)30-8-5-29(6-9-30)7-10-31-13-25-17-19(31)27-21(23)32-20(17)26-18(28-32)15-2-1-11-33-15/h1-4,11-13H,5-10H2,(H2,23,27) AJXQVNAXZUVYGP-UHFFFAOYSA-N 50202783 3-(2-(4-(5-chloropyridin-2-yl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246467 Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202783&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438087 104082168 CHEMBL246467 ZINC28877557 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371954 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2)CC1 InChI=1S/C27H31N9O2/c1-37-17-18-38-22-9-7-21(8-10-22)34-14-11-33(12-15-34)13-16-35-19-29-23-25(35)31-27(28)36-26(23)30-24(32-36)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H2,28,31) UMITUBMNAWNEIW-UHFFFAOYSA-N 50202785 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-phenyl-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246468 Adenosine receptor A2a Homo sapiens 3.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202785&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438088 104082170 CHEMBL246468 ZINC28877563 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371955 Nc1nc2n(CCN3CCOCC3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C16H18N8O2/c17-16-20-14-12(15-19-13(21-24(15)16)11-2-1-7-26-11)18-10-23(14)4-3-22-5-8-25-9-6-22/h1-2,7,10H,3-6,8-9H2,(H2,17,20) IUKNUYWUAJOQQH-UHFFFAOYSA-N 50202786 8-(furan-2-yl)-3-(2-morpholinoethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL248299 Adenosine receptor A2a Homo sapiens 6.3 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202786&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438074 104082171 CHEMBL248299 ZINC28877469 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371956 Nc1nc2n(CCN3CCN(CC3)c3ncc(F)cn3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C20H20FN11O/c21-13-10-23-20(24-11-13)30-6-3-29(4-7-30)5-8-31-12-25-15-17(31)27-19(22)32-18(15)26-16(28-32)14-2-1-9-33-14/h1-2,9-12H,3-8H2,(H2,22,27) PVKNTWSESSTNDD-UHFFFAOYSA-N 50202789 3-(2-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246262 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202789&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10114735 104082174 CHEMBL246262 ZINC28877541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371957 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2C(F)(F)F)CC1 InChI=1S/C28H30F3N9O2/c1-41-16-17-42-20-8-6-19(7-9-20)38-13-10-37(11-14-38)12-15-39-18-33-23-25(39)35-27(32)40-26(23)34-24(36-40)21-4-2-3-5-22(21)28(29,30)31/h2-9,18H,10-17H2,1H3,(H2,32,35) KHLKCNXWKPQJLX-UHFFFAOYSA-N 50202791 3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-8-(2-(trifluoromethyl)phenyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL247900 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202791&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438091 104082176 CHEMBL247900 ZINC28877581 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371958 COCCOc1ccc(cc1)C1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C26H30N8O3/c1-35-15-16-36-20-6-4-18(5-7-20)19-8-10-32(11-9-19)12-13-33-17-28-22-24(33)30-26(27)34-25(22)29-23(31-34)21-3-2-14-37-21/h2-7,14,17,19H,8-13,15-16H2,1H3,(H2,27,30) HYPCCOLGSMPPRJ-UHFFFAOYSA-N 50202790 8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperidin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246054 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202790&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44216395 104082175 CHEMBL246054 ZINC13983487 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371959 Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22ClN9O/c23-15-3-1-4-16(13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(24)32-21(18)26-19(28-32)17-5-2-12-33-17/h1-5,12-14H,6-11H2,(H2,24,27) QNUWHFYXSBOSBN-UHFFFAOYSA-N 50202788 3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246261 Adenosine receptor A2a Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202788&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438085 104082173 CHEMBL246261 ZINC28877535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371960 Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1 InChI=1S/C22H23N9O/c23-22-26-20-18(21-25-19(27-31(21)22)17-7-4-14-32-17)24-15-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26) QHNCBTPYZDQNIK-UHFFFAOYSA-N 50202787 8-(furan-2-yl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL248300 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202787&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438076 104082172 CHEMBL248300 ZINC28877483 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50371961 COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2F)CC1 InChI=1S/C27H30FN9O2/c1-38-16-17-39-20-8-6-19(7-9-20)35-13-10-34(11-14-35)12-15-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)21-4-2-3-5-22(21)28/h2-9,18H,10-17H2,1H3,(H2,29,32) WIRAZXXWUFPWFL-UHFFFAOYSA-N 50202792 8-(2-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3H-[1,2,4]triazolo[1,5-g]purin-5-amine::CHEMBL246673 Adenosine receptor A2a Homo sapiens 9.3 ChEMBL 10.1016/j.bmcl.2006.12.104 10.7270/Q2RF5TPQ 17234414 Silverman, LS; Caldwell, JP; Greenlee, WJ; Kiselgof, E; Matasi, JJ; Tulshian, DB; Arik, L; Foster, C; Bertorelli, R; Monopoli, A; Ongini, E Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202792&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44438090 104082177 CHEMBL246673 ZINC28877575 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365900 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCN(C)C InChI=1S/C24H38N6O3/c1-5-14-29-18-17(19(31)30(15-6-2)22(29)33)26-20(27-18)23-7-10-24(11-8-23,12-9-23)21(32)25-13-16-28(3)4/h5-16H2,1-4H3,(H,25,32)(H,26,27)/t23-,24+ VUNOGVXKRYEQTC-PSWAGMNNSA-N 50199272 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic Acid (2-dimethylamino-ethyl)-amide::CHEMBL217541 Adenosine receptor A2a Homo sapiens 132 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199272&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995353 104079928 CHEMBL217541 ZINC36124111 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365906 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1 InChI=1S/C25H33N5O4/c1-3-14-29-22-20(23(31)30(15-4-2)25(29)33)27-21(28-22)18-10-12-19(13-11-18)26-24(32)34-16-17-8-6-5-7-9-17/h5-9,18-19H,3-4,10-16H2,1-2H3,(H,26,32)(H,27,28)/t18-,19- GNKVWLPYAHCCPN-WGSAOQKQSA-N 50199279 CHEMBL274199::trans-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexyl]-carbamic acid benzyl ester Adenosine receptor A2a Homo sapiens 2960 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199279&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995351 104079935 CHEMBL274199 ZINC36124113 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365911 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@]12CC[C@](CCC(O)=O)(CC1)CC2 InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)/t21-,22- ZWTVVWUOTJRXKM-HZCBDIJESA-N 50199269 3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid::CHEMBL386974 Adenosine receptor A2a Homo sapiens 6410 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199269&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 216466 104079925 CHEMBL386974 5605 ZINC00603777 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365915 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCCC(=O)OC InChI=1S/C24H35N5O5/c1-4-14-28-18-17(19(31)29(15-5-2)22(28)33)26-20(27-18)23-7-10-24(11-8-23,12-9-23)21(32)25-13-6-16(30)34-3/h4-15H2,1-3H3,(H,25,32)(H,26,27)/t23-,24+ GTUOMXJRILRSTH-PSWAGMNNSA-N 50199282 3-{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-propionic acid methy lester::CHEMBL384257 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199282&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995448 104079938 CHEMBL384257 ZINC36124106 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365917 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@]12CC[C@](CO)(CC1)CC2 InChI=1S/C20H30N4O3/c1-3-11-23-15-14(16(26)24(12-4-2)18(23)27)21-17(22-15)20-8-5-19(13-25,6-9-20)7-10-20/h25H,3-13H2,1-2H3,(H,21,22)/t19-,20+ VXNGWYZIFXWTDN-BGYRXZFFSA-N 50199281 8-(4-hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL438827 Adenosine receptor A2a Homo sapiens 414 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199281&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995651 104079937 CHEMBL438827 ZINC36124119 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365918 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](COCc2ccccc2)CC1 InChI=1S/C25H34N4O3/c1-3-14-28-23-21(24(30)29(15-4-2)25(28)31)26-22(27-23)20-12-10-19(11-13-20)17-32-16-18-8-6-5-7-9-18/h5-9,19-20H,3-4,10-17H2,1-2H3,(H,26,27)/t19-,20- LIHIDLZRLXNKCU-MXVIHJGJSA-N 50199277 8-(4-benzyloxymethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione::CHEMBL214228 Adenosine receptor A2a Homo sapiens 2720 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199277&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995348 104079933 CHEMBL214228 ZINC36124102 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365923 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@H]1CC[C@@H](CC1)C(=O)NCCN(C)C InChI=1S/C22H36N6O3/c1-5-12-27-19-17(21(30)28(13-6-2)22(27)31)24-18(25-19)15-7-9-16(10-8-15)20(29)23-11-14-26(3)4/h15-16H,5-14H2,1-4H3,(H,23,29)(H,24,25)/t15-,16- TXELAPVVYAWXKZ-WKILWMFISA-N 50199283 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid (2-dimethylamino-ethyl)-amide::CHEMBL387440 Adenosine receptor A2a Homo sapiens 168 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199283&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995349 104079939 CHEMBL387440 ZINC36124117 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365926 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC2C[C@@H]1[C@H]1O[C@@H]21 InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9?,10-,11-,13-,14+/m0/s1 OQCJPFYWFGUHIN-KAELQNTISA-N 50199270 1,3-dipropyl-8-[2-(5,6-exo-epoxy-(1S,2S)-norborn-2-yl)]-xanthine::CHEMBL216750 Adenosine receptor A2a Homo sapiens 1660 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199270&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44417680 104079926 CHEMBL216750 ZINC05114733 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365928 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O InChI=1S/C20H28N4O4/c1-3-11-23-14-13(15(25)24(12-4-2)18(23)28)21-16(22-14)19-5-8-20(9-6-19,10-7-19)17(26)27/h3-12H2,1-2H3,(H,21,22)(H,26,27)/t19-,20+ ULGKOBWVPCWKOE-BGYRXZFFSA-N 50199284 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid::CHEMBL217179 Adenosine receptor A2a Homo sapiens 1070 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199284&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9886589 104079940 CHEMBL217179 ZINC34009937 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365929 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N1CCC(CC1)C(O)=O InChI=1S/C26H37N5O5/c1-3-13-30-19-18(20(32)31(14-4-2)24(30)36)27-22(28-19)25-7-10-26(11-8-25,12-9-25)23(35)29-15-5-17(6-16-29)21(33)34/h17H,3-16H2,1-2H3,(H,27,28)(H,33,34)/t25-,26+ RZGMWSOSODPDDA-WMPKNSHKSA-N 50199275 1-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-piperidine-4-carboxylic acid::CHEMBL385856 Adenosine receptor A2a Homo sapiens 7820 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199275&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995650 104079931 CHEMBL385856 ZINC36124109 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365932 CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O InChI=1S/C22H35N5O3/c1-4-7-12-23-20(28)16-10-8-15(9-11-16)18-24-17-19(25-18)26(13-5-2)22(30)27(14-6-3)21(17)29/h15-16H,4-14H2,1-3H3,(H,23,28)(H,24,25)/t15-,16- VNIAELPLZNPYDE-WKILWMFISA-N 50199271 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid butylamide::CHEMBL217085 Adenosine receptor A2a Homo sapiens 2260 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199271&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995555 104079927 CHEMBL217085 ZINC36124121 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365937 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(O)=O InChI=1S/C22H31N5O5/c1-3-11-26-16-15(17(30)27(12-4-2)20(26)32)24-18(25-16)21-5-8-22(9-6-21,10-7-21)19(31)23-13-14(28)29/h3-13H2,1-2H3,(H,23,31)(H,24,25)(H,28,29)/t21-,22+ CSJZKKRAYVYQCY-SZPZYZBQSA-N 50199273 CHEMBL386777::{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-acetic acid Adenosine receptor A2a Homo sapiens 7880 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199273&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9911385 104079929 CHEMBL386777 ZINC36124127 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365939 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C=O InChI=1S/C20H28N4O3/c1-3-11-23-15-14(16(26)24(12-4-2)18(23)27)21-17(22-15)20-8-5-19(13-25,6-9-20)7-10-20/h13H,3-12H2,1-2H3,(H,21,22)/t19-,20+ SQUUDKCIIGURPO-BGYRXZFFSA-N 50199286 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbaldehyde::CHEMBL216517 Adenosine receptor A2a Homo sapiens 799 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199286&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929405 104079942 CHEMBL216517 ZINC34034199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365941 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC InChI=1S/C23H33N5O5/c1-4-12-27-17-16(18(30)28(13-5-2)21(27)32)25-19(26-17)22-6-9-23(10-7-22,11-8-22)20(31)24-14-15(29)33-3/h4-14H2,1-3H3,(H,24,31)(H,25,26)/t22-,23+ ZAPNHSIRIXRZCP-ZRZAMGCNSA-N 50199280 CHEMBL424908::{[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbonyl]-amino}-acetic acid methyl ester Adenosine receptor A2a Homo sapiens 681 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199280&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995557 104079936 CHEMBL424908 ZINC34800820 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365944 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)\C=C\C(O)=O InChI=1S/C22H30N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h5-6H,3-4,7-14H2,1-2H3,(H,23,24)(H,27,28)/b6-5+/t21-,22- VPQZQQILWCCMPS-UYGKQXMSSA-N 50199268 (E)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-acrylic acid::CHEMBL217076 Adenosine receptor A2a Homo sapiens 3330 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199268&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9844693 104079924 CHEMBL217076 ZINC33988656 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365946 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CC3CC(CC3C1)C2 InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-9-12-7-13(10-20)14(8-12)11-20/h12-14H,3-11H2,1-2H3,(H,21,22) IDHJABAMUQNMKF-UHFFFAOYSA-N 50199274 3-noradamantyl-1,3-dipropylxanthine::CHEMBL385372 Adenosine receptor A2a Homo sapiens 673 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199274&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44417669 104079930 CHEMBL385372 ZINC38149751 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365947 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)OC InChI=1S/C21H30N4O4/c1-4-12-24-15-14(16(26)25(13-5-2)19(24)28)22-17(23-15)20-6-9-21(10-7-20,11-8-20)18(27)29-3/h4-13H2,1-3H3,(H,22,23)/t20-,21+ UOSPNRSEBOMLKH-OYRHEFFESA-N 50199285 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester::CHEMBL438823 Adenosine receptor A2a Homo sapiens 912 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199285&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9844060 104079941 CHEMBL438823 ZINC33988024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365949 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@H]1CC[C@H](CO)CC1 InChI=1S/C18H28N4O3/c1-3-9-21-16-14(17(24)22(10-4-2)18(21)25)19-15(20-16)13-7-5-12(11-23)6-8-13/h12-13,23H,3-11H2,1-2H3,(H,19,20)/t12-,13- HHQNZNMFDUUTOQ-JOCQHMNTSA-N 50199278 8-(4-hydroxymethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL384139 Adenosine receptor A2a Homo sapiens 313 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199278&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995554 104079934 CHEMBL384139 ZINC36124099 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365953 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)N(C)CC(=O)OC InChI=1S/C24H35N5O5/c1-5-13-28-18-17(19(31)29(14-6-2)22(28)33)25-20(26-18)23-7-10-24(11-8-23,12-9-23)21(32)27(3)15-16(30)34-4/h5-15H2,1-4H3,(H,25,26)/t23-,24+ BBAIDTHZIBWSIU-PSWAGMNNSA-N 50199287 2-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)(methyl)amino)acetic acid::CHEMBL384705 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm0605381 10.7270/Q2DN44QG 17125264 Kiesman, WF; Zhao, J; Conlon, PR; Dowling, JE; Petter, RC; Lutterodt, F; Jin, X; Smits, G; Fure, M; Jayaraj, A; Kim, J; Sullivan, G; Linden, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199287&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11995649 104079943 CHEMBL384705 ZINC36124124 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365964 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2 InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1 GPQFQBLUSJCIFV-YJPTXTSQSA-N 50199290 (R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopropyl-4-propyl-7,8-dihydro-1H-imidazo[1,2-g]purin-5(4H)-one::CHEMBL216269 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199290&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9886438 104079946 CHEMBL216269 ZINC34009779 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365970 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2 InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1 WYHPLEBRFOHMGR-JYMLRBTQSA-N 50199289 (R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-4-propyl-7,8-dihydro-1H-imidazo[1,2-g]purin-5(4H)-one::CHEMBL450341 Adenosine receptor A2a Homo sapiens 4400 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199289&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11222501 104079945 CHEMBL450341 ZINC34409969 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365976 CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1 MCPJJPPDATVFJX-CGDGTSQQSA-N 50199301 (R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1H-imidazo[1,2-g]purin-2-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL217268 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10274126 104079957 CHEMBL217268 ZINC36273972 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365985 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(O)(CC1)CC2 InChI=1S/C19H28N4O3/c1-3-11-22-14-13(15(24)23(12-4-2)17(22)25)20-16(21-14)18-5-8-19(26,9-6-18)10-7-18/h26H,3-12H2,1-2H3,(H,20,21) JMEHHVKPUQMNOZ-UHFFFAOYSA-N 50199303 8-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL218458 Adenosine receptor A2a Homo sapiens 550 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199303&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9950776 104079959 CHEMBL218458 ZINC36273965 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365987 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28) ZWTVVWUOTJRXKM-UHFFFAOYSA-N 50199293 3-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL414157::Tonapofylline Adenosine receptor A2a Homo sapiens 6400 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199293&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 216466 104079949 CHEMBL414157 5605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372204 COC(C)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C26H31N9O3/c1-18(36-2)17-38-20-7-5-19(6-8-20)33-12-9-32(10-13-33)11-14-34-24-21(16-28-34)25-29-23(22-4-3-15-37-22)31-35(25)26(27)30-24/h3-8,15-16,18H,9-14,17H2,1-2H3,(H2,27,30) ZWJJTHCAVQUSER-UHFFFAOYSA-N 50202983 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-propoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240626 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202983&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439772 104082352 CHEMBL240626 ZINC28891936 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372205 Nc1nc2n(CCN3CCN(CC3)c3ccc(cc3)C#N)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H22N10O/c24-14-16-3-5-17(6-4-16)31-10-7-30(8-11-31)9-12-32-21-18(15-26-32)22-27-20(19-2-1-13-34-19)29-33(22)23(25)28-21/h1-6,13,15H,7-12H2,(H2,25,28) AMQSMIIKKZMQPJ-UHFFFAOYSA-N 50202984 4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-piperazin-1-yl}-benzonitrile::CHEMBL240211 Adenosine receptor A2a Homo sapiens 2.1 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202984&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439734 104082353 CHEMBL240211 ZINC28891764 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372206 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3F)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H20F3N9O/c23-14-3-4-15(18(25)17(14)24)32-8-5-31(6-9-32)7-10-33-20-13(12-27-33)21-28-19(16-2-1-11-35-16)30-34(21)22(26)29-20/h1-4,11-12H,5-10H2,(H2,26,29) NCRDZJIYEHKXFL-UHFFFAOYSA-N 50202985 2-furan-2-yl-7-{2-[4-(2,3,4-trifluoro-phenyl)-piperazin-1-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL401242 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202985&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439738 104082354 CHEMBL401242 ZINC28891807 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372208 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)c(F)c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21F2N9O/c23-16-4-3-14(12-17(16)24)31-8-5-30(6-9-31)7-10-32-20-15(13-26-32)21-27-19(18-2-1-11-34-18)29-33(21)22(25)28-20/h1-4,11-13H,5-10H2,(H2,25,28) RCNYJKOBBCTAOW-UHFFFAOYSA-N 50202988 7-{2-[4-(3,4-difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL241110 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202988&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439737 104082357 CHEMBL241110 ZINC28891803 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372209 CCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C24H27N9O2/c1-2-34-18-7-5-17(6-8-18)31-12-9-30(10-13-31)11-14-32-22-19(16-26-32)23-27-21(20-4-3-15-35-20)29-33(23)24(25)28-22/h3-8,15-16H,2,9-14H2,1H3,(H2,25,28) IOSLXICJNAAKOP-UHFFFAOYSA-N 50202987 7-{2-[4-(4-ethoxy-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL400214 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202987&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439733 104082356 CHEMBL400214 ZINC28891758 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372210 COCCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C26H31N9O3/c1-36-15-3-17-37-20-7-5-19(6-8-20)33-12-9-32(10-13-33)11-14-34-24-21(18-28-34)25-29-23(22-4-2-16-38-22)31-35(25)26(27)30-24/h2,4-8,16,18H,3,9-15,17H2,1H3,(H2,27,30) OPCANNJURSZTNC-UHFFFAOYSA-N 50202989 2-furan-2-yl-7-(2-{4-[4-(3-methoxy-propoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240846 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202989&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439775 104082358 CHEMBL240846 ZINC28891955 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372212 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21F2N9O/c23-14-3-4-17(16(24)12-14)31-8-5-30(6-9-31)7-10-32-20-15(13-26-32)21-27-19(18-2-1-11-34-18)29-33(21)22(25)28-20/h1-4,11-13H,5-10H2,(H2,25,28) JZAMQDDHRXHDFR-UHFFFAOYSA-N 50202990 2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::7-{2-[4-(2,4-difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL241109::SCH-412348 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202990&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9912318 104082359 CHEMBL241109 ZINC53006839 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372213 COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1 InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-20(19(26)15-17)33-9-6-32(7-10-33)8-11-34-23-18(16-28-34)24-29-22(21-3-2-12-38-21)31-35(24)25(27)30-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30) ZQHMDORXGVCDDX-UHFFFAOYSA-N 50202991 7-(2-{4-[2-fluoro-4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL393410 Adenosine receptor A2a Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202991&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10301670 104082360 CHEMBL393410 ZINC53188605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372214 Nc1nc2n(CCN3CCN(CC3)c3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H23N9O/c23-22-26-20-17(21-25-19(27-31(21)22)18-7-4-14-32-18)15-24-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26) WFWHDQGOIJIVSG-UHFFFAOYSA-N 50202993 2-furan-2-yl-7-[2-(4-phenyl-piperazin-1-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL239817::US11440916, HZ10168 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202993&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10181038 104082362 CHEMBL239817 ZINC52996755 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372215 Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22FN9O/c23-15-3-5-16(6-4-15)30-10-7-29(8-11-30)9-12-31-20-17(14-25-31)21-26-19(18-2-1-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27) JZQKRTMACNZFTG-UHFFFAOYSA-N 50202992 7-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240212 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202992&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12097026 104082361 CHEMBL240212 ZINC28891787 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372216 CS(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C24H27N9O3S/c1-37(34)16-36-18-6-4-17(5-7-18)31-11-8-30(9-12-31)10-13-32-22-19(15-26-32)23-27-21(20-3-2-14-35-20)29-33(23)24(25)28-22/h2-7,14-15H,8-13,16H2,1H3,(H2,25,28) CNARRPQTMNYNBF-UHFFFAOYSA-N 50202995 2-furan-2-yl-7-{2-[4-(4-methanesulfinylmethoxy-phenyl)-piperazin-1-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240647 Adenosine receptor A2a Homo sapiens 2.2 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202995&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439774 104082364 CHEMBL240647 ZINC28891949 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372217 Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22ClN9O/c23-15-3-5-16(6-4-15)30-10-7-29(8-11-30)9-12-31-20-17(14-25-31)21-26-19(18-2-1-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27) DCQGWYFDBJKNRW-UHFFFAOYSA-N 50202994 7-{2-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240213 Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202994&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439735 104082363 CHEMBL240213 ZINC28891793 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372218 Nc1nc2n(CCN3CCN(CC3)c3ccccc3F)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22FN9O/c23-16-4-1-2-5-17(16)30-10-7-29(8-11-30)9-12-31-20-15(14-25-31)21-26-19(18-6-3-13-33-18)28-32(21)22(24)27-20/h1-6,13-14H,7-12H2,(H2,24,27) GOGLCSDPHFNNNE-UHFFFAOYSA-N 50202996 7-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL400215 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202996&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439736 104082365 CHEMBL400215 ZINC28891797 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372220 COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1 InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) DTYWJKSSUANMHD-UHFFFAOYSA-N 50202986 2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL240624::SCH-420814::US11440916, Preladenant::US11472811, Example Preladenant::preladenant Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202986&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10117987 104082355 CHEMBL240624 5614 ZINC53006885 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372221 Nc1nc2n(CCN3CCN(CC3)c3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H23N9O2/c23-22-26-20-17(21-25-19(27-31(21)22)18-2-1-13-33-18)14-24-30(20)12-9-28-7-10-29(11-8-28)15-3-5-16(32)6-4-15/h1-6,13-14,32H,7-12H2,(H2,23,26) IKQDPYIPJVIVST-UHFFFAOYSA-N 50202997 4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-piperazin-1-yl}-phenol::CHEMBL240030 Adenosine receptor A2a Homo sapiens 1.3 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202997&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439732 104082366 CHEMBL240030 ZINC28891753 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372223 Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C24H27N9O3/c25-24-28-22-19(23-27-21(29-33(23)24)20-2-1-14-36-20)16-26-32(22)12-9-30-7-10-31(11-8-30)17-3-5-18(6-4-17)35-15-13-34/h1-6,14,16,34H,7-13,15H2,(H2,25,28) MDXHGHFPTDKASR-UHFFFAOYSA-N 50202998 2-(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-piperazin-1-yl}-phenoxy)-ethanol::CHEMBL240625 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202998&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439771 104082367 CHEMBL240625 ZINC28891925 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372224 Nc1nc2n(CCN3CCN(CC3)c3ccc(OCCOC4CC4)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C27H31N9O3/c28-27-31-25-22(26-30-24(32-36(26)27)23-2-1-15-39-23)18-29-35(25)14-11-33-9-12-34(13-10-33)19-3-5-20(6-4-19)37-16-17-38-21-7-8-21/h1-6,15,18,21H,7-14,16-17H2,(H2,28,31) VCXBXZUMBAYIBB-UHFFFAOYSA-N 50203000 7-(2-{4-[4-(2-cyclopropoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL240847 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203000&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439776 104082369 CHEMBL240847 ZINC28891960 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372225 Nc1nc2n(CCN3CCN(CC3)c3c(F)cc(F)cc3F)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H20F3N9O/c23-13-10-15(24)18(16(25)11-13)32-6-3-31(4-7-32)5-8-33-20-14(12-27-33)21-28-19(17-2-1-9-35-17)30-34(21)22(26)29-20/h1-2,9-12H,3-8H2,(H2,26,29) JUBAYSLJFPEAFH-UHFFFAOYSA-N 50202999 2-furan-2-yl-7-{2-[4-(2,4,6-trifluoro-phenyl)-piperazin-1-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL239809 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50202999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50202999&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10277683 104082368 CHEMBL239809 ZINC52996728 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50372226 CC(=O)COc1ccc(cc1)N1CCN(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)CC1 InChI=1S/C25H27N9O3/c1-17(35)16-37-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(15-27-33)24-28-22(21-3-2-14-36-21)30-34(24)25(26)29-23/h2-7,14-15H,8-13,16H2,1H3,(H2,26,29) KKQZXVHOWDIROP-UHFFFAOYSA-N 50203001 1-(4-{4-[2-(5-amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-piperazin-1-yl}-phenoxy)-propan-2-one::CHEMBL392475 Adenosine receptor A2a Homo sapiens 0.8 ChEMBL 10.1016/j.bmcl.2006.11.083 10.7270/Q27H1J8J 17236762 Neustadt, BR; Hao, J; Lindo, N; Greenlee, WJ; Stamford, AW; Tulshian, D; Ongini, E; Hunter, J; Monopoli, A; Bertorelli, R; Foster, C; Arik, L; Lachowicz, J; Ng, K; Feng, KI Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50203001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50203001&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44439773 104082370 CHEMBL392475 ZINC28891940 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50365989 CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2 InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1 FYWDHMLGEXYCSD-JEACLXLTSA-N 50199295 (R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1H-imidazo[1,2-g]purin-2-yl)bicyclo[2.2.2]octan-1-yl)propanoic acid::CHEMBL216200 Adenosine receptor A2a Homo sapiens 18000 ChEMBL 10.1021/jm060539t 10.7270/Q28W3CZ9 17125265 Vu, CB; Kiesman, WF; Conlon, PR; Lin, KC; Tam, M; Petter, RC; Smits, G; Lutterodt, F; Jin, X; Chen, L; Zhang, J Biogen Idec Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199295&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10114222 104079951 CHEMBL216200 ZINC34241520 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50367217 COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 InChI=1S/C18H19ClN8O5/c1-31-9-2-3-10(19)8(4-9)5-21-15-12-16(24-18(23-15)25-26-20)27(7-22-12)17-14(30)13(29)11(6-28)32-17/h2-4,7,11,13-14,17,28-30H,5-6H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1 XAQXKAIELUTQQX-LSCFUAHRSA-N 50199967 2-azido-N6-(5-chloro-2-methoxybenzyl)-9-(beta-D-ribofuranosyl)adenine::CHEMBL386698 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199967&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16094575 104080423 CHEMBL386698 ZINC34800839 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50367231 COc1ccc(Cl)c(CNc2nc(nc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)-n2cc(CC3CCCC3)nn2)c1 InChI=1S/C26H31ClN8O5/c1-39-17-6-7-18(27)15(9-17)10-28-23-20-24(34(13-29-20)25-22(38)21(37)19(12-36)40-25)31-26(30-23)35-11-16(32-33-35)8-14-4-2-3-5-14/h6-7,9,11,13-14,19,21-22,25,36-38H,2-5,8,10,12H2,1H3,(H,28,30,31)/t19-,21-,22-,25-/m1/s1 FSJVLFODYBZABL-PTGPVQHPSA-N 50199984 CHEMBL218378::N6-(5-chloro-2-methoxybenzyl)-2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(beta-D-ribofuranosyl)adenine Adenosine receptor A2a Homo sapiens 6000 ChEMBL 10.1021/jm0608208 10.7270/Q2K64HRJ 17149867 Cosyn, L; Palaniappan, KK; Kim, SK; Duong, HT; Gao, ZG; Jacobson, KA; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50199984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50199984&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16094561 104080440 CHEMBL218378 ZINC34800836 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50388728 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O InChI=1S/C40H49FN6O4/c1-46-23-27(20-30-29-9-5-10-31-36(29)26(22-43-31)21-35(30)46)38(49)44-32(17-14-24-7-3-2-4-8-24)39(50)45-33(19-25-12-15-28(41)16-13-25)40(51)47-18-6-11-34(47)37(42)48/h5,9-10,12-13,15-16,20,22,24,27,32-35,43H,2-4,6-8,11,14,17-19,21,23H2,1H3,(H2,42,48)(H,44,49)(H,45,50)/t27-,32+,33+,34+,35-/m1/s1 RKNAJYDRYXZMIZ-ALHDMZAZSA-N 50214400 (6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-ylamino)-4-cyclohexyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL438297 Adenosine receptor A2a Homo sapiens 33000 ChEMBL 10.1021/jm060947x 10.7270/Q2BP02GQ 17539620 Vendrell, M; Angulo, E; Casado, V; Lluis, C; Franco, R; Albericio, F; Royo, M Institut d'Investigacions Biomèdiques August Pi i http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214400&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16733773 104089439 CHEMBL438297 ZINC28655466 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50388730 CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O InChI=1S/C37H52N6O4/c1-22(2)33(41-35(45)26-17-28-27-12-7-13-29-32(27)25(19-39-29)18-31(28)42(3)20-26)36(46)40-30(15-14-23-9-5-4-6-10-23)37(47)43-16-8-11-24(21-43)34(38)44/h7,12-13,17,19,22-24,26,30-31,33,39H,4-6,8-11,14-16,18,20-21H2,1-3H3,(H2,38,44)(H,40,46)(H,41,45)/t24?,26-,30+,31-,33+/m1/s1 YNMVMEOICCVXBZ-YMNQGKLCSA-N 50214402 (6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-yl)-4-cyclohexyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL390298 Adenosine receptor A2a Homo sapiens 50000 ChEMBL 10.1021/jm060947x 10.7270/Q2BP02GQ 17539620 Vendrell, M; Angulo, E; Casado, V; Lluis, C; Franco, R; Albericio, F; Royo, M Institut d'Investigacions Biomèdiques August Pi i http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214402&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16732430 104089441 CHEMBL390298 ZINC28655499 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50388731 CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O InChI=1S/C40H50N6O4/c1-23(2)36(44-38(48)27-18-29-28-13-9-14-30-35(28)26(21-42-30)20-33(29)45(3)22-27)39(49)43-31(17-16-24-10-5-4-6-11-24)40(50)46-32-15-8-7-12-25(32)19-34(46)37(41)47/h7-9,12-15,18,21,23-24,27,31,33-34,36,42H,4-6,10-11,16-17,19-20,22H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)/t27-,31+,33-,34+,36+/m1/s1 CWFYFSVSDFREOX-HNLGHXBASA-N 50214404 (6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1-yl)-4-cyclohexyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL226694 Adenosine receptor A2a Homo sapiens 25000 ChEMBL 10.1021/jm060947x 10.7270/Q2BP02GQ 17539620 Vendrell, M; Angulo, E; Casado, V; Lluis, C; Franco, R; Albericio, F; Royo, M Institut d'Investigacions Biomèdiques August Pi i http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214404&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16732736 104089443 CHEMBL226694 ZINC28655512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384527 COc1ncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1 InChI=1S/C17H13N7O2/c1-25-17-20-7-11(8-21-17)23-16-19-9-12(13-4-5-18-10-22-13)15(24-16)14-3-2-6-26-14/h2-10H,1H3,(H,19,23,24) ONXHHAADYYTDKN-UHFFFAOYSA-N 50211684 4'-(2-furyl)-N-(2-methoxypyrimidin-5-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL226236 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211684&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16720105 104087802 CHEMBL226236 ZINC28645184 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384528 COc1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1 InChI=1S/C18H14N6O2/c1-25-16-5-4-12(9-20-16)23-18-21-10-13(14-6-7-19-11-22-14)17(24-18)15-3-2-8-26-15/h2-11H,1H3,(H,21,23,24) KFVNLZHVGOLGOY-UHFFFAOYSA-N 50211681 4'-(2-furyl)-N-(6-methoxypyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL389040 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211681&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11638790 104087799 CHEMBL389040 ZINC13981591 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384532 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1 InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26) KFXYTFPWHUKNNC-UHFFFAOYSA-N 50211683 1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyridin-2(1H)-one::CHEMBL225982 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16720104 104087801 CHEMBL225982 ZINC28645193 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384539 N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23) YRPIMMMBNUUYLG-UHFFFAOYSA-N 50211685 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine::4'-(furan-2-yl)-N-(pyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL375293 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211685 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211685&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11716665 104087803 CHEMBL375293 5617 ZINC13981593 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384541 O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c[nH]1 InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23) FCQHLVOBGNNKBH-UHFFFAOYSA-N 50211682 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyridin-2(1H)-one::CHEMBL226238 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211682&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11544506 104087800 CHEMBL226238 ZINC13981602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384552 N(c1cnccn1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C16H11N7O/c1-2-13(24-7-1)15-11(12-3-4-18-10-21-12)8-20-16(23-15)22-14-9-17-5-6-19-14/h1-10H,(H,19,20,22,23) DLVGZMIEBGCZOC-UHFFFAOYSA-N 50211686 4'-(2-furyl)-N-pyrazin-2-yl-4,5'-bipyrimidin-2'-amine::CHEMBL226188 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211686 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211686&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11565927 104087804 CHEMBL226188 ZINC28645181 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384555 Cn1cc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)ccc1=O InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23) ZTVPMYBJPZDOKZ-UHFFFAOYSA-N 50211688 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}-1-methylpyridin-2(1H)-one::CHEMBL438306 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211688 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211688&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16720106 104087806 CHEMBL438306 ZINC28645190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384559 [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1 InChI=1S/C17H12N6O2/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22) UOPAUGXJSSLKIS-UHFFFAOYSA-N 50211679 4'-(2-furyl)-N-(1-oxidopyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL390600 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211679&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11667107 104087797 CHEMBL390600 ZINC13981600 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384562 N#Cc1cncc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)c1 InChI=1S/C18H11N7O/c19-7-12-6-13(9-21-8-12)24-18-22-10-14(15-3-4-20-11-23-15)17(25-18)16-2-1-5-26-16/h1-6,8-11H,(H,22,24,25) NXCTZWROGMLVKP-UHFFFAOYSA-N 50211687 5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}nicotinonitrile::CHEMBL226237 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211687 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211687&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11537425 104087805 CHEMBL226237 ZINC28645187 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387808 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccn4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(18-8-3-4-9-23-18)11-10-27(14)13-17-24-20-15-6-5-7-16(30-2)19(15)25-21(22)29(20)26-17/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 HOMZMCWVXKVXLX-CQSZACIVSA-N 50108671 CHEMBL3596507 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108671&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182832 319492815 CHEMBL3596507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387809 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4)nn3c(N)nc12 InChI=1S/C22H25N7O/c1-15-13-28(16-7-4-3-5-8-16)12-11-27(15)14-19-24-21-17-9-6-10-18(30-2)20(17)25-22(23)29(21)26-19/h3-10,15H,11-14H2,1-2H3,(H2,23,25)/t15-/m1/s1 RQPQGMWYGNBUKK-OAHLLOKOSA-N 50108672 CHEMBL3596506 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 90268061 319492816 CHEMBL3596506 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387810 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cn4)nn3c(N)nc12 InChI=1S/C21H23FN8O/c1-13-11-29(18-7-6-14(22)10-24-18)9-8-28(13)12-17-25-20-15-4-3-5-16(31-2)19(15)26-21(23)30(20)27-17/h3-7,10,13H,8-9,11-12H2,1-2H3,(H2,23,26)/t13-/m1/s1 MLKYZAOUHNKPGX-CYBMUJFWSA-N 50108673 CHEMBL3596505 Adenosine receptor A2a Homo sapiens 13 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108673&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182831 319492817 CHEMBL3596505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387811 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccc(F)c4)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(16-6-3-5-15(23)11-16)10-9-28(14)13-19-25-21-17-7-4-8-18(31-2)20(17)26-22(24)30(21)27-19/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 ZJCWMJGOWBGMOH-CQSZACIVSA-N 50108674 CHEMBL3596504 Adenosine receptor A2a Homo sapiens 5.3 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108674&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182830 319492818 CHEMBL3596504 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387812 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccccc4F)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(17-8-4-3-7-16(17)23)11-10-28(14)13-19-25-21-15-6-5-9-18(31-2)20(15)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 DJELAMXUNKZXCL-CQSZACIVSA-N 50108675 CHEMBL3596503 Adenosine receptor A2a Homo sapiens 8.6 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108675&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182829 319492819 CHEMBL3596503 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387813 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccc(F)cc4)nn3c(N)nc12 InChI=1S/C22H24FN7O/c1-14-12-29(16-8-6-15(23)7-9-16)11-10-28(14)13-19-25-21-17-4-3-5-18(31-2)20(17)26-22(24)30(21)27-19/h3-9,14H,10-13H2,1-2H3,(H2,24,26)/t14-/m1/s1 MQKKAQLHMBBFHM-CQSZACIVSA-N 50108676 CHEMBL3596502 Adenosine receptor A2a Homo sapiens 5.5 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108676&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 90268057 319492820 CHEMBL3596502 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387814 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cccnc4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 ANVXHXGEVYBTKN-CQSZACIVSA-N 50108651 CHEMBL3596508 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108651&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44356949 104003833 CHEMBL3596508 ZINC27431880 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387815 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ccncc4)nn3c(N)nc12 InChI=1S/C21H24N8O/c1-14-12-28(15-6-8-23-9-7-15)11-10-27(14)13-18-24-20-16-4-3-5-17(30-2)19(16)25-21(22)29(20)26-18/h3-9,14H,10-13H2,1-2H3,(H2,22,25)/t14-/m1/s1 GSHURFXAZDZQNT-CQSZACIVSA-N 50108650 CHEMBL3596509 Adenosine receptor A2a Homo sapiens 93 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108650&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44356403 104003832 CHEMBL3596509 ZINC27429192 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387816 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncccn4)nn3c(N)nc12 InChI=1S/C20H23N9O/c1-13-11-28(20-22-7-4-8-23-20)10-9-27(13)12-16-24-18-14-5-3-6-15(30-2)17(14)25-19(21)29(18)26-16/h3-8,13H,9-12H2,1-2H3,(H2,21,25)/t13-/m1/s1 UGNIFDZRCGZKQD-CYBMUJFWSA-N 50108649 CHEMBL3596510 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108649&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44356940 104003831 CHEMBL3596510 ZINC27435623 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387817 COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(17-8-4-5-9-18(17)31-2)12-11-28(15)14-20-25-22-16-7-6-10-19(32-3)21(16)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 AVHLJSGXVGYCKK-OAHLLOKOSA-N 50108648 CHEMBL3596511 Adenosine receptor A2a Homo sapiens 8.9 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108648&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44356954 104003830 CHEMBL3596511 ZINC27433602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387818 COc1cccc(c1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(16-6-4-7-17(12-16)31-2)11-10-28(15)14-20-25-22-18-8-5-9-19(32-3)21(18)26-23(24)30(22)27-20/h4-9,12,15H,10-11,13-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 VHWVPUSSAQURNZ-OAHLLOKOSA-N 50108647 CHEMBL3596512 Adenosine receptor A2a Homo sapiens 7.7 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108647&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44356941 104003829 CHEMBL3596512 ZINC27435013 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387819 COc1ccc(cc1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C23H27N7O2/c1-15-13-29(16-7-9-17(31-2)10-8-16)12-11-28(15)14-20-25-22-18-5-4-6-19(32-3)21(18)26-23(24)30(22)27-20/h4-10,15H,11-14H2,1-3H3,(H2,24,26)/t15-/m1/s1 SAFUTBJYBAFUQI-OAHLLOKOSA-N 50108684 CHEMBL3596513 Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108684 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108684&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182838 319492828 CHEMBL3596513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387820 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(C)c4)nn3c(N)nc12 InChI=1S/C20H25N9O/c1-13-10-28(14-9-22-26(2)11-14)8-7-27(13)12-17-23-19-15-5-4-6-16(30-3)18(15)24-20(21)29(19)25-17/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H2,21,24)/t13-/m1/s1 RDJIFVXEHXFTIX-CYBMUJFWSA-N 50108683 CHEMBL3596514 Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182839 319492827 CHEMBL3596514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387821 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4ncc(C)s4)nn3c(N)nc12 InChI=1S/C20H24N8OS/c1-12-10-27(20-22-9-13(2)30-20)8-7-26(12)11-16-23-18-14-5-4-6-15(29-3)17(14)24-19(21)28(18)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 JQQRLDARMNMUCR-GFCCVEGCSA-N 50108682 CHEMBL3596515 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108682&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182840 319492826 CHEMBL3596515 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387822 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 InChI=1S/C20H24N8OS/c1-12-10-27(17-9-22-13(2)30-17)8-7-26(12)11-16-23-19-14-5-4-6-15(29-3)18(14)24-20(21)28(19)25-16/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,21,24)/t12-/m1/s1 OVMXDDOSKRBABS-GFCCVEGCSA-N 50108681 CHEMBL3596516 Adenosine receptor A2a Homo sapiens 6.7 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108681 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108681&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182841 319492825 CHEMBL3596516 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387823 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4sc(C)nc4C)nn3c(N)nc12 InChI=1S/C21H26N8OS/c1-12-10-28(20-13(2)23-14(3)31-20)9-8-27(12)11-17-24-19-15-6-5-7-16(30-4)18(15)25-21(22)29(19)26-17/h5-7,12H,8-11H2,1-4H3,(H2,22,25)/t12-/m1/s1 SBASPANLGYDWOU-GFCCVEGCSA-N 50108680 CHEMBL3596517 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108680&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182842 319492824 CHEMBL3596517 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387824 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4nsnc4Cl)nn3c(N)nc12 InChI=1S/C18H20ClN9OS/c1-10-8-27(17-15(19)24-30-25-17)7-6-26(10)9-13-21-16-11-4-3-5-12(29-2)14(11)22-18(20)28(16)23-13/h3-5,10H,6-9H2,1-2H3,(H2,20,22)/t10-/m1/s1 LAFTYKBPQFGFAN-SNVBAGLBSA-N 50108679 CHEMBL3596518 Adenosine receptor A2a Homo sapiens 5.2 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108679&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182843 319492823 CHEMBL3596518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387825 CCn1cc(cn1)N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1 InChI=1S/C21H27N9O/c1-4-29-12-15(10-23-29)28-9-8-27(14(2)11-28)13-18-24-20-16-6-5-7-17(31-3)19(16)25-21(22)30(20)26-18/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3,(H2,22,25)/t14-/m1/s1 BWISKVKXIBGNEZ-CQSZACIVSA-N 50108678 CHEMBL3596589 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108678&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182881 319492822 CHEMBL3596589 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387826 COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnn(c4)C(C)(C)C)nn3c(N)nc12 InChI=1S/C23H31N9O/c1-15-12-30(16-11-25-31(13-16)23(2,3)4)10-9-29(15)14-19-26-21-17-7-6-8-18(33-5)20(17)27-22(24)32(21)28-19/h6-8,11,13,15H,9-10,12,14H2,1-5H3,(H2,24,27)/t15-/m1/s1 NJFOJBCWSPNWOZ-OAHLLOKOSA-N 50108677 CHEMBL3596590 Adenosine receptor A2a Homo sapiens 9.4 ChEMBL 10.1016/j.bmcl.2015.05.036 10.7270/Q23F4RFG 26048804 Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50108677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50108677&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122182882 319492821 CHEMBL3596590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50395678 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 InChI=1S/C33H42N6O6/c1-32(2,3)21-13-19(14-22(25(21)41)33(4,5)6)30(44)34-12-11-18-7-9-20(10-8-18)38-28-24-29(36-16-35-28)39(17-37-24)31-27(43)26(42)23(15-40)45-31/h7-10,13-14,16-17,23,26-27,31,40-43H,11-12,15H2,1-6H3,(H,34,44)(H,35,36,38)/t23-,26-,27-,31-/m1/s1 GCZXLSYFHULECQ-HYHFPRINSA-N 50219387 3,5-di-tert-butyl-N-(2-{4-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-phenyl}-ethyl)-4-hydroxy-benzamide::CHEMBL398669 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219387&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44442019 104092643 CHEMBL398669 ZINC28950692 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50395681 CC1(C)NC(C)(C)c2cc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc12 InChI=1S/C22H28N6O4/c1-21(2)12-6-5-11(7-13(12)22(3,4)27-21)26-18-15-19(24-9-23-18)28(10-25-15)20-17(31)16(30)14(8-29)32-20/h5-7,9-10,14,16-17,20,27,29-31H,8H2,1-4H3,(H,23,24,26)/t14-,16-,17-,20-/m1/s1 NSHCGAYCUQOOPS-WVSUBDOOSA-N 50219388 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(1,1,3,3-tetramethylisoindolin-5-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL249294 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219388&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44442015 104092644 CHEMBL249294 ZINC28950679 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50395687 CC1(C)CC(CC(C)(C)N1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C19H30N6O4/c1-18(2)5-10(6-19(3,4)24-18)23-15-12-16(21-8-20-15)25(9-22-12)17-14(28)13(27)11(7-26)29-17/h8-11,13-14,17,24,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1 YQDOORANLOODTR-LSCFUAHRSA-N 50219386 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(2,2,6,6-tetramethylpiperidin-4-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL249492 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219386&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44442016 104092642 CHEMBL249492 ZINC28950684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50395691 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C31H46N6O6/c1-30(2,3)19-13-18(14-20(23(19)39)31(4,5)6)28(42)33-12-10-8-7-9-11-32-26-22-27(35-16-34-26)37(17-36-22)29-25(41)24(40)21(15-38)43-29/h13-14,16-17,21,24-25,29,38-41H,7-12,15H2,1-6H3,(H,33,42)(H,32,34,35)/t21-,24-,25-,29-/m1/s1 WILCPLUIPOFNDM-VKUKUQHZSA-N 50219389 3,5-di-tert-butyl-N-(6-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-6-ylamino)hexyl)-4-hydroxybenzamide::CHEMBL251708 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2007.07.035 10.7270/Q2VX0G7M 17689079 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Monash University (Parkville Campus) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50219389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50219389&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44442018 104092645 CHEMBL251708 ZINC28950690 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50386279 COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3 IREYKMZFYCQRKW-UHFFFAOYSA-N 50212798 9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL238419 Adenosine receptor A2a Homo sapiens 11300 ChEMBL 10.1016/j.bmc.2007.04.018 10.7270/Q2833RR7 17499511 Drabczynska, A; Muller, CE; Karolak-Wojciechowska, J; Schumacher, B; Schiedel, A; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50212798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50212798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16755701 104088558 CHEMBL238419 ZINC28873955 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389575 COc1ccc(Cl)cc1CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O InChI=1S/C17H17Cl2N5O3S/c1-27-11-3-2-9(18)4-8(11)5-20-14-12-15(23-17(19)22-14)24(7-21-12)16-13(26)10(25)6-28-16/h2-4,7,10,13,16,25-26H,5-6H2,1H3,(H,20,22,23)/t10-,13-,16-/m1/s1 LJLMHEFJMXWPHX-CKUKBARFSA-N 50214977 (2R,3R,4S)-2-(2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL437923 Adenosine receptor A2a Homo sapiens 4020 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214977&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16735505 104089794 CHEMBL437923 ZINC28656136 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389577 CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O InChI=1S/C10H12ClN5O2S/c1-12-7-5-8(15-10(11)14-7)16(3-13-5)9-6(18)4(17)2-19-9/h3-4,6,9,17-18H,2H2,1H3,(H,12,14,15)/t4-,6-,9-/m1/s1 ANLGHWMSNKUOET-NVMQTXNBSA-N 50214978 (2R,3R,4S)-2-(2-chloro-6-(methylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL388145 Adenosine receptor A2a Homo sapiens 45 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214978 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214978&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16735540 104089795 CHEMBL388145 ZINC28656163 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394935 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389584 O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19+/m1/s1 GFHAZFGYXHKHAK-AHMDFLBRSA-N 50118803 (2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::CHEMBL344187 Adenosine receptor A2a Homo sapiens 29800 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118803&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11027743 104012066 CHEMBL344187 ZINC27517859 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389587 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5360 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389589 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389590 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389592 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 QMJFSSNSVVHFPD-IXPVHAAZSA-N 50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686 Adenosine receptor A2a Homo sapiens 341 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214974&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16220189 104089791 CHEMBL413686 ZINC28656123 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389593 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3Cl)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O2S/c17-9-4-2-1-3-8(9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 XUIYCLQDMOOVSQ-IXPVHAAZSA-N 50214980 (2R,3R,4S)-2-(2-chloro-6-(2-chlorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL227279 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214980 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214980&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16735280 104089797 CHEMBL227279 ZINC28656131 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50389597 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1021/jm070259t 10.7270/Q2513XXX 17555308 Jeong, LS; Choe, SA; Gunaga, P; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Patel, A; Palaniappan, KK; Gao, ZG; Jacobson, KA; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394959 COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NHWOTOQPRYZNAV-UHFFFAOYSA-N 50091128 2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-(4-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL105913 Adenosine receptor A2a Homo sapiens 1060 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10732242 103989514 CHEMBL105913 ZINC13672189 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394968 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29) OJHDOIIUJLKKAH-UHFFFAOYSA-N 50218919 CHEMBL242424::N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A2a Homo sapiens 2860 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218919&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44427585 104092378 CHEMBL242424 ZINC28710896 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394974 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 7900 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394981 Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) NJFGXLMDWIXVEW-UHFFFAOYSA-N 50091130 2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL107446 Adenosine receptor A2a Homo sapiens 228 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091130&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10612371 103989516 CHEMBL107446 ZINC13672183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394984 CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccc(C)cc1 InChI=1S/C19H16N4O/c1-12-7-9-14(10-8-12)23-11-16-15-5-3-4-6-17(15)21-19(18(16)22-23)20-13(2)24/h3-11H,1-2H3,(H,20,21,24) NJHFXFSXKRPREQ-UHFFFAOYSA-N 50218924 CHEMBL388459::N-(2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 1500 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218924&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44427583 104092383 CHEMBL388459 ZINC28710894 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394985 COc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4O/c1-22-12-6-4-5-11(9-12)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) POCGSYFXHADFKF-UHFFFAOYSA-N 50218916 2-(3-methoxyphenyl)-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL388458 Adenosine receptor A2a Homo sapiens 486 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218916&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44427581 104092375 CHEMBL388458 ZINC28710892 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394987 Nc1nc2ccccc2c2cn(nc12)-c1ccccc1 InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18) MVHJGGYPZDDBQV-UHFFFAOYSA-N 50091117 2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL320805 Adenosine receptor A2a Homo sapiens 91 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091117&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10491577 103989503 CHEMBL320805 ZINC13672178 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50394991 Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21 InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19) XVEJYBYRDZTECS-UHFFFAOYSA-N 50091144 2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine::2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine::CHEMBL106346 Adenosine receptor A2a Homo sapiens 329 ChEMBL 10.1021/jm070123v 10.7270/Q2JM29BR 17665891 Colotta, V; Catarzi, D; Varano, F; Capelli, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Pedata, F; Schiesaro, A; Morizzo, E; Moro, S Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50091144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50091144&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10754789 103989528 CHEMBL106346 ZINC13672185 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50387579 Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22) YRQLRCRBEYSAIN-UHFFFAOYSA-N 50213737 7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol::CHEMBL399203 Adenosine receptor A2a Homo sapiens 25000 ChEMBL 10.1016/j.bmcl.2007.05.011 10.7270/Q21C1WKG 17524641 Wang, Y; Busch-Petersen, J; Wang, F; Ma, L; Fu, W; Kerns, JK; Jin, J; Palovich, MR; Shen, JK; Burman, M; Foley, JJ; Schmidt, DB; Hunsberger, GE; Sarau, HM; Widdowson, KL GlaxoSmithKline http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50213737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50213737&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11304851 104089059 CHEMBL399203 ZINC06718565 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50384523 N(c1cncnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1 InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23) MIWVUJKIMLESNF-UHFFFAOYSA-N 50211680 4'-(2-furyl)-N-pyrimidin-5-yl-4,5'-bipyrimidin-2'-amine::CHEMBL225972 Adenosine receptor A2a Homo sapiens >2500 ChEMBL 10.1021/jm061333v 10.7270/Q2862G32 17469811 Vidal, B; Nueda, A; Esteve, C; Domenech, T; Benito, S; Reinoso, RF; Pont, M; Calbet, M; Lopez, R; Cadavid, MI; Loza, MI; Cardenas, A; Godessart, N; Beleta, J; Warrellow, G; Ryder, H Almirall, S.A. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50211680 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50211680&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11659696 104087798 CHEMBL225972 ZINC14210039 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410149 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27) FUKUTZINQOQZRW-UHFFFAOYSA-N 50233109 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252045 Adenosine receptor A2a Homo sapiens 1800 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233109&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266765 104055675 CHEMBL252045 ZINC28564191 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410156 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C18H17FN6O2/c1-2-6-25-17(26)14-16(23-18(25)27)22-15(21-14)12-8-20-24(10-12)9-11-4-3-5-13(19)7-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,21,22)(H,23,27) ZIRDIKJQVSWMQR-UHFFFAOYSA-N 50233101 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404131 Adenosine receptor A2a Homo sapiens 1730 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958593 104055667 CHEMBL404131 ZINC29037284 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410163 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C18H15F3N6O2/c1-2-27-16(28)13-15(25-17(27)29)24-14(23-13)11-7-22-26(9-11)8-10-4-3-5-12(6-10)18(19,20)21/h3-7,9H,2,8H2,1H3,(H,23,24)(H,25,29) OFXKKKKJJGJUBD-UHFFFAOYSA-N 50233088 1-ethyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251876::CVT-7124 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233088&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11774068 104055654 CHEMBL251876 ZINC29037283 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410164 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C24H25N7O3/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)26-21(27-22)17-13-25-29(14-17)15-18-12-19(34-28-18)16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H,26,27) QHQXJNOXMJZDGX-UHFFFAOYSA-N 50233091 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252245 Adenosine receptor A2a Homo sapiens 420 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266775 104055657 CHEMBL252245 ZINC28564226 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410165 FC(F)(F)c1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C22H17F3N8O3/c23-22(24,25)14-5-3-12(4-6-14)19-27-15(31-36-19)10-32-9-13(7-26-32)17-28-16-18(29-17)30-21(35)33(20(16)34)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,28,29)(H,30,35) KRBXOPQSJDTUNC-UHFFFAOYSA-N 50233103 1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL403975 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233103&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266766 104055669 CHEMBL403975 ZINC29037347 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410175 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C22H21N7O3/c1-13(2)10-29-21(30)18-20(26-22(29)31)25-19(24-18)15-9-23-28(11-15)12-16-8-17(32-27-16)14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)(H,26,31) CSYIINADKKUNIM-UHFFFAOYSA-N 50233090 1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251880 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266742 104055656 CHEMBL251880 ZINC29037365 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410179 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-12(2)9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-8-20-24(11-14)10-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,27) HHCAKTUURWOQFA-UHFFFAOYSA-N 50233106 8-(1-benzyl-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252068 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233106&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958783 104055672 CHEMBL252068 ZINC29037275 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410180 FC(F)(F)c1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 InChI=1S/C20H17F3N6O2/c21-20(22,23)14-3-1-2-12(6-14)8-28-10-13(7-24-28)16-25-15-17(26-16)27-19(31)29(18(15)30)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,25,26)(H,27,31) MEVIOSZNKOHQTG-UHFFFAOYSA-N 50233097 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL404349 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233097&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44446477 104055663 CHEMBL404349 ZINC29037301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410181 FC(F)(F)c1ccc(cc1)-c1cc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C23H18F3N7O3/c24-23(25,26)15-5-3-13(4-6-15)17-7-16(31-36-17)11-32-10-14(8-27-32)19-28-18-20(29-19)30-22(35)33(21(18)34)9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,28,29)(H,30,35) IBGNDMUTTAHMDK-UHFFFAOYSA-N 50233100 1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251881 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233100&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266751 104055666 CHEMBL251881 ZINC29037367 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410184 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1 InChI=1S/C20H18N8O3/c1-2-8-28-19(29)15-17(25-20(28)30)24-16(23-15)13-9-21-27(10-13)11-14-22-18(31-26-14)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,23,24)(H,25,30) SFKVNTJTARTRFD-UHFFFAOYSA-N 50233105 8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251854 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233105&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266761 104055671 CHEMBL251854 ZINC29037321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410190 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C17H16N6O2/c1-2-23-16(24)13-15(21-17(23)25)20-14(19-13)12-8-18-22(10-12)9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,25) PAZHIGAJOKRYPV-UHFFFAOYSA-N 50233098 8-(1-benzyl-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251873 Adenosine receptor A2a Homo sapiens 3800 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233098&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958681 104055664 CHEMBL251873 ZINC29037269 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410145 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccccc2)c1 InChI=1S/C21H19N7O3/c1-2-8-28-20(29)17-19(25-21(28)30)24-18(23-17)14-10-22-27(11-14)12-15-9-16(31-26-15)13-6-4-3-5-7-13/h3-7,9-11H,2,8,12H2,1H3,(H,23,24)(H,25,30) IUHRTIPHEUHZTC-UHFFFAOYSA-N 50233107 8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252272 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233107&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266771 104055673 CHEMBL252272 ZINC29037356 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410146 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C21H19ClN8O3/c1-2-3-8-30-20(31)16-18(27-21(30)32)26-17(25-16)13-9-23-29(10-13)11-15-24-19(33-28-15)12-4-6-14(22)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,26)(H,27,32) QSEYHOMIGYEFFY-UHFFFAOYSA-N 50233083 1-butyl-8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL251878 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233083&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10310768 104055649 CHEMBL251878 ZINC29037335 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414471 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414472 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 7900 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414473 O=C(NCc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C23H18N6O2/c30-22(24-15-16-9-3-1-4-10-16)26-20-21-27-29(17-11-5-2-6-12-17)23(31)28(21)19-14-8-7-13-18(19)25-20/h1-14H,15H2,(H2,24,25,26,30) VIBOPLGOAIYGMR-UHFFFAOYSA-N 50271536 4-benzylureido-1,2-dihydro-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-1-one::CHEMBL508203 Adenosine receptor A2a Homo sapiens 158.3 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271536&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44586253 104116291 CHEMBL508203 ZINC40980457 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414474 COc1ccc(cc1)-n1nc2c(NC(=O)c3ccncc3)nc3ccccc3n2c1=O InChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29) OTBVDTOGBXZBSN-UHFFFAOYSA-N 50272032 CHEMBL526134::N-(2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)isonicotinamide Adenosine receptor A2a Homo sapiens 397 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272032&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44586717 104116557 CHEMBL526134 ZINC40425066 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414475 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccncc1 InChI=1S/C21H14N6O2/c28-20(14-10-12-22-13-11-14)24-18-19-25-27(15-6-2-1-3-7-15)21(29)26(19)17-9-5-4-8-16(17)23-18/h1-13H,(H,23,24,28) WUBKOFOYQBUNOS-UHFFFAOYSA-N 50272033 CHEMBL502005::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)isonicotinamide Adenosine receptor A2a Homo sapiens 188 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272033&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44586718 104116558 CHEMBL502005 ZINC40979833 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50414499 O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28) HTBRQSCIUVUCRL-UHFFFAOYSA-N 50086159 CHEMBL16488::N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-benzamide::N-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide Adenosine receptor A2a Homo sapiens 88.2 ChEMBL 10.1016/j.bmc.2008.04.039 10.7270/Q2TQ61BG 18468446 Colotta, V; Catarzi, D; Varano, F; Lenzi, O; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Traini, C; Pugliese, AM; Pedata, F; Morizzo, E; Moro, S Universita' di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086159&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10619822 103985551 CHEMBL16488 ZINC13806267 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407155 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1 InChI=1S/C23H19N7/c24-18-11-13-19(14-12-18)25-22-20-23(27-21(26-22)17-9-5-2-6-10-17)30(29-28-20)15-16-7-3-1-4-8-16/h1-14H,15,24H2,(H,25,26,27) YLYRPYGRRKBVPO-UHFFFAOYSA-N 50264830 CHEMBL492052::N-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7yl-)-(4-aminophenyl)-amine Adenosine receptor A2a Homo sapiens 1300 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104832 104112697 CHEMBL492052 ZINC45506385 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407156 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1 InChI=1S/C24H20N6/c25-19-11-13-20(14-12-19)27-23-21-24(29-22(28-23)18-9-5-2-6-10-18)30(16-26-21)15-17-7-3-1-4-8-17/h1-14,16H,15,25H2,(H,27,28,29) RVUVWWRSIWGIQQ-UHFFFAOYSA-N 50265409 CHEMBL496985::N6-[(4-Amino)-phenyl]-9-benzyl-2-phenyladenine Adenosine receptor A2a Homo sapiens 5737 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265409&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104892 104113177 CHEMBL496985 ZINC40424850 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407157 [O-][N+](=O)c1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1 InChI=1S/C24H18N6O2/c31-30(32)20-13-11-19(12-14-20)26-23-21-24(28-22(27-23)18-9-5-2-6-10-18)29(16-25-21)15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,27,28) AQQCBPZYBVKEFU-UHFFFAOYSA-N 50265408 CHEMBL496984::N6-[(4-Nitro)-phenyl]-9-benzyl-2-phenyladenine Adenosine receptor A2a Homo sapiens 1900 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265408&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104891 104113176 CHEMBL496984 ZINC40975650 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407158 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1 InChI=1S/C23H19N7/c24-18-11-13-19(14-12-18)25-22-20-23(27-21(26-22)17-9-5-2-6-10-17)30(29-28-20)15-16-7-3-1-4-8-16/h1-14H,15,24H2,(H,25,26,27) YLYRPYGRRKBVPO-UHFFFAOYSA-N 50264830 CHEMBL492052::N-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7yl-)-(4-aminophenyl)-amine Adenosine receptor A2a Homo sapiens 280 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104832 104112697 CHEMBL492052 ZINC45506385 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407159 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1 InChI=1S/C24H20N6/c25-19-11-13-20(14-12-19)27-23-21-24(29-22(28-23)18-9-5-2-6-10-18)30(16-26-21)15-17-7-3-1-4-8-17/h1-14,16H,15,25H2,(H,27,28,29) RVUVWWRSIWGIQQ-UHFFFAOYSA-N 50265409 CHEMBL496985::N6-[(4-Amino)-phenyl]-9-benzyl-2-phenyladenine Adenosine receptor A2a Homo sapiens 4170 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265409&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104892 104113177 CHEMBL496985 ZINC40424850 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407162 Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1 InChI=1S/C23H19N7/c24-18-11-13-19(14-12-18)25-22-20-23(27-21(26-22)17-9-5-2-6-10-17)30(29-28-20)15-16-7-3-1-4-8-16/h1-14H,15,24H2,(H,25,26,27) YLYRPYGRRKBVPO-UHFFFAOYSA-N 50264830 CHEMBL492052::N-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7yl-)-(4-aminophenyl)-amine Adenosine receptor A2a Homo sapiens 9740 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104832 104112697 CHEMBL492052 ZINC45506385 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407163 Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1 InChI=1S/C30H23FN8O/c31-22-11-13-24(14-12-22)33-30(40)34-25-17-15-23(16-18-25)32-28-26-29(36-27(35-28)21-9-5-2-6-10-21)39(38-37-26)19-20-7-3-1-4-8-20/h1-18H,19H2,(H,32,35,36)(H2,33,34,40) OLHVMYLPYPPJJK-UHFFFAOYSA-N 50264831 1-[4-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7-ylamino)-phenyl]-3-(4-fluorophenyl)-urea::CHEMBL487497 Adenosine receptor A2a Homo sapiens 16000 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104834 104112698 CHEMBL487497 ZINC49877902 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50407164 Fc1ccc(NC(=O)Nc2ccc(Nc3nc(nc4n(Cc5ccccc5)nnc34)-c3ccccc3)cc2)cc1 InChI=1S/C30H23FN8O/c31-22-11-13-24(14-12-22)33-30(40)34-25-17-15-23(16-18-25)32-28-26-29(36-27(35-28)21-9-5-2-6-10-21)39(38-37-26)19-20-7-3-1-4-8-20/h1-18H,19H2,(H,32,35,36)(H2,33,34,40) OLHVMYLPYPPJJK-UHFFFAOYSA-N 50264831 1-[4-(3-Benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]-pyrimidin-7-ylamino)-phenyl]-3-(4-fluorophenyl)-urea::CHEMBL487497 Adenosine receptor A2a Homo sapiens 9950 ChEMBL 10.1016/j.ejmech.2007.10.021 10.7270/Q2GX4BBD 18045744 Giorgi, I; Biagi, G; Bianucci, AM; Borghini, A; Livi, O; Leonardi, M; Pietra, D; Calderone, V; Martelli, A Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25104834 104112698 CHEMBL487497 ZINC49877902 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409393 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1 InChI=1S/C20H25N7O2/c1-14-11-15(2)27(24-14)18-12-17(22-20(23-18)16-5-4-10-29-16)21-19(28)13-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,23,28) BWVAXODRSJSHDC-UHFFFAOYSA-N 21175 CHEMBL252171::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 27 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21175&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768401 49689248 CHEMBL252171 ZINC23360511 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409397 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409398 Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15) SSPIGFDAVQVRCH-UHFFFAOYSA-N 50232155 2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine::CHEMBL399529 Adenosine receptor A2a Homo sapiens 2.9 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232155&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11424684 104055429 CHEMBL399529 ZINC28966060 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409400 CN(C)CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C15H16N6O2/c1-20(2)10-14(22)17-12-9-13(21-7-4-6-16-21)19-15(18-12)11-5-3-8-23-11/h3-9H,10H2,1-2H3,(H,17,18,19,22) BXANNUDVSKOUNE-UHFFFAOYSA-N 50232157 2-dimethylamino-N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide::CHEMBL399577 Adenosine receptor A2a Homo sapiens 5.2 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232157&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24778159 104055431 CHEMBL399577 ZINC28967209 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409402 O=C(CN1CCOCC1)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C17H18N6O3/c24-16(12-22-6-9-25-10-7-22)19-14-11-15(23-5-2-4-18-23)21-17(20-14)13-3-1-8-26-13/h1-5,8,11H,6-7,9-10,12H2,(H,19,20,21,24) LGUMAGBOHGGARE-UHFFFAOYSA-N 50232156 CHEMBL252345::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-2-morpholin-4-yl-acetamide (21) Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232156&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11956192 104055430 CHEMBL252345 ZINC28967214 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409405 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ IQVRBWUUXZMOPW-PKNBQFBNSA-N 50176050 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione::8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione::CHEMBL431770::istradefylline Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50176050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50176050&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search JQ9 8GNG 5311037 104061724 CHEMBL431770 5608 ZINC03803921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50409409 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1 InChI=1S/C18H20N6O2S/c1-23-5-7-24(8-6-23)12-16(25)21-15-11-13(18-19-4-10-27-18)20-17(22-15)14-3-2-9-26-14/h2-4,9-11H,5-8,12H2,1H3,(H,20,21,22,25) NPNLXWRCDBORLG-UHFFFAOYSA-N 21174 CHEMBL398272::N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 26 Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1021/jm070623o 10.7270/Q2WH2PQ9 18189346 Slee, DH; Zhang, X; Moorjani, M; Lin, E; Lanier, MC; Chen, Y; Rueter, JK; Lechner, SM; Markison, S; Malany, S; Joswig, T; Santos, M; Gross, RS; Williams, JP; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Wen, J; O'Brien, Z; Saunders, J Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21174&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768400 49689247 CHEMBL398272 ZINC23360508 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411812 CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-16-11-17(2)31(29-16)23-13-22(27-25(28-23)21-10-9-18(3)34-21)26-24(32)15-33-20-8-6-7-19(12-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IGEDPAQDLDJKOH-UHFFFAOYSA-N 50237064 CHEMBL401895::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.4 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237064&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16654984 104056378 CHEMBL401895 ZINC29041664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411814 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(c2)C#N)nc(n1)-c1ccc(C)o1 InChI=1S/C23H20N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,13H2,1-3H3,(H,25,26,27,30) IMNOAYWUEQMUEH-UHFFFAOYSA-N 50237066 2-(3-cyanophenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide::CHEMBL402904 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237066&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448028 104056380 CHEMBL402904 ZINC29041644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411817 Cc1ccc(o1)-c1nc(NC(=O)CCc2ccccc2F)cc(n1)-c1nccs1 InChI=1S/C21H17FN4O2S/c1-13-6-8-17(28-13)20-24-16(21-23-10-11-29-21)12-18(26-20)25-19(27)9-7-14-4-2-3-5-15(14)22/h2-6,8,10-12H,7,9H2,1H3,(H,24,25,26,27) OECFCZUHCVYOCI-UHFFFAOYSA-N 50237069 3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)propanamide::CHEMBL255647 Adenosine receptor A2a Homo sapiens 16 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237069&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448014 104056383 CHEMBL255647 ZINC29041618 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411818 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2F)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-6-7-16(28-12)19-23-14(20-22-8-9-29-20)10-17(25-19)24-18(26)11-27-15-5-3-2-4-13(15)21/h2-10H,11H2,1H3,(H,23,24,25,26) OUSRTLFULTUCSU-UHFFFAOYSA-N 50237070 2-(2-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL404739 Adenosine receptor A2a Homo sapiens 7.5 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237070&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448018 104056384 CHEMBL404739 ZINC29041622 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411820 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2nc(C)cc(C)n2)nc(n1)-c1ccc(C)o1 InChI=1S/C22H23N7O3/c1-12-8-13(2)24-22(23-12)31-11-20(30)25-18-10-19(29-15(4)9-14(3)28-29)27-21(26-18)17-7-6-16(5)32-17/h6-10H,11H2,1-5H3,(H,25,26,27,30) VWYLETALEOIPPS-UHFFFAOYSA-N 50237071 CHEMBL404864::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yloxy)acetamide Adenosine receptor A2a Homo sapiens 3.7 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237071&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448055 104056385 CHEMBL404864 ZINC29041708 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411824 Cc1ccc(o1)-c1nc(NC(=O)COc2ccccc2)cc(n1)-c1nccs1 InChI=1S/C20H16N4O3S/c1-13-7-8-16(27-13)19-22-15(20-21-9-10-28-20)11-17(24-19)23-18(25)12-26-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23,24,25) AIBOKCZKYWCPKJ-UHFFFAOYSA-N 50237073 CHEMBL255649::N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-phenoxyacetamide Adenosine receptor A2a Homo sapiens 7.4 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237073&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448019 104056387 CHEMBL255649 ZINC29041624 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411828 COc1cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)ccc1CN(C)C InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-10-7-18(3)36-21)27-25(33)15-35-20-9-8-19(14-31(4)5)22(12-20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) GIBQHQPXEUZCCB-UHFFFAOYSA-N 50237075 CHEMBL253317::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)-3-methoxyphenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237075&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739478 104056389 CHEMBL253317 ZINC29041706 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411829 CN(C)Cc1cc(F)cc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H27FN6O3/c1-15-8-16(2)32(30-15)23-12-22(28-25(29-23)21-7-6-17(3)35-21)27-24(33)14-34-20-10-18(13-31(4)5)9-19(26)11-20/h6-12H,13-14H2,1-5H3,(H,27,28,29,33) XHZNAIPWEJMXIP-UHFFFAOYSA-N 50237076 CHEMBL256331::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)-5-fluorophenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237076&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739814 104056390 CHEMBL256331 ZINC29041682 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411831 CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) JBRWEJMXORBYNB-UHFFFAOYSA-N 50237078 CHEMBL256123::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237078&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739307 104056392 CHEMBL256123 ZINC29041666 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411834 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411835 COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1 InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)22-9-7-18(3)36-22)27-25(33)15-35-21-10-8-20(34-6)12-19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) DDKRPWSDORFUBF-UHFFFAOYSA-N 50237068 CHEMBL429850::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-4-methoxyphenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237068&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739481 104056382 CHEMBL429850 ZINC29041696 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411837 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(C)cc2)cc(n1)-c1nccs1 InChI=1S/C21H18N4O3S/c1-13-3-6-15(7-4-13)27-12-19(26)24-18-11-16(21-22-9-10-29-21)23-20(25-18)17-8-5-14(2)28-17/h3-11H,12H2,1-2H3,(H,23,24,25,26) WLQRARSNWWFZFK-UHFFFAOYSA-N 50237080 CHEMBL404744::N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)-2-(p-tolyloxy)acetamide Adenosine receptor A2a Homo sapiens 36 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237080&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448025 104056394 CHEMBL404744 ZINC29041636 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411839 CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) DIUIGJUQYDIXDX-UHFFFAOYSA-N 50237083 CHEMBL256124::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237083&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739646 104056397 CHEMBL256124 ZINC29041672 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411843 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) RFVFHMYNJHWNDI-UHFFFAOYSA-N 50237065 2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide::CHEMBL403845 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237065&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448051 104056379 CHEMBL403845 ZINC29041680 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411844 CN(C)Cc1ccccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-10-18(3)34-21)26-24(32)15-33-20-9-7-6-8-19(20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) XDIDHYHAQWZUJJ-UHFFFAOYSA-N 50237085 CHEMBL256547::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237085&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739308 104056399 CHEMBL256547 ZINC29041692 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411845 CN(C)CCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C26H30N6O3/c1-17-13-18(2)32(30-17)24-15-23(28-26(29-24)22-10-9-19(3)35-22)27-25(33)16-34-21-8-6-7-20(14-21)11-12-31(4)5/h6-10,13-15H,11-12,16H2,1-5H3,(H,27,28,29,33) BIBQUPCUOFIXEG-UHFFFAOYSA-N 50237084 CHEMBL403846::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237084&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739648 104056398 CHEMBL403846 ZINC29041688 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411847 O=C(COc1cccc(c1)C#N)Nc1cc(nc(n1)-c1ccccn1)-c1nccs1 InChI=1S/C21H14N6O2S/c22-12-14-4-3-5-15(10-14)29-13-19(28)26-18-11-17(21-24-8-9-30-21)25-20(27-18)16-6-1-2-7-23-16/h1-11H,13H2,(H,25,26,27,28) GYOCQXVVGOKQNM-UHFFFAOYSA-N 50237090 2-(3-cyanophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255911 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448036 104056404 CHEMBL255911 ZINC29041658 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411849 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H29FN6O4/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-5-4-19(3)38-23)29-26(35)16-37-22-12-20(11-21(28)13-22)15-33-6-8-36-9-7-33/h4-5,10-14H,6-9,15-16H2,1-3H3,(H,29,30,31,35) UAMWVBDBNFYGKK-UHFFFAOYSA-N 50237086 CHEMBL256327::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(morpholinomethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237086&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739813 104056400 CHEMBL256327 ZINC29041686 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411850 COc1cc(CN(C)C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O4/c1-16-11-17(2)32(30-16)24-13-23(28-26(29-24)21-9-7-18(3)36-21)27-25(33)15-35-20-10-8-19(14-31(4)5)12-22(20)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) VDDMGPIPCZFWJX-UHFFFAOYSA-N 50237067 CHEMBL429125::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)-2-methoxyphenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.2 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237067&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739310 104056381 CHEMBL429125 ZINC29041704 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411851 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(Cl)c2)cc(n1)-c1nccs1 InChI=1S/C20H15ClN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) AGJUEHKKCLPMSY-UHFFFAOYSA-N 50237077 2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255861 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237077&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448024 104056391 CHEMBL255861 ZINC29041632 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411852 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(F)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C22H20FN5O3/c1-13-9-14(2)28(27-13)20-11-19(25-22(26-20)18-8-7-15(3)31-18)24-21(29)12-30-17-6-4-5-16(23)10-17/h4-11H,12H2,1-3H3,(H,24,25,26,29) OJFQBKZROTVGHM-UHFFFAOYSA-N 50237087 CHEMBL255267::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluorophenoxy)acetamide Adenosine receptor A2a Homo sapiens 3.7 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237087&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448026 104056401 CHEMBL255267 ZINC29041638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411855 Cc1ccc(o1)-c1nc(NC(=O)COc2ccc(F)cc2)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-2-7-16(28-12)19-23-15(20-22-8-9-29-20)10-17(25-19)24-18(26)11-27-14-5-3-13(21)4-6-14/h2-10H,11H2,1H3,(H,23,24,25,26) CLEOXYQMBIUOPG-UHFFFAOYSA-N 50237089 2-(4-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL404740 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237089&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448022 104056403 CHEMBL404740 ZINC29041628 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411857 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(F)c2)cc(n1)-c1nccs1 InChI=1S/C20H15FN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26) RAECGVDQYJTWQW-UHFFFAOYSA-N 50237091 2-(3-fluorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255859 Adenosine receptor A2a Homo sapiens 11 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448021 104056405 CHEMBL255859 ZINC29041626 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411858 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C23H24N6O3/c1-14-9-15(2)29(28-14)21-11-20(26-23(27-21)19-8-7-16(3)32-19)25-22(30)13-31-18-6-4-5-17(10-18)12-24/h4-11H,12-13,24H2,1-3H3,(H,25,26,27,30) RFVFHMYNJHWNDI-UHFFFAOYSA-N 50237065 2-(3-(aminomethyl)phenoxy)-N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)acetamide::CHEMBL403845 Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237065&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448051 104056379 CHEMBL403845 ZINC29041680 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411859 Cc1ccc(o1)-c1nc(NC(=O)COc2cccc(c2)C#N)cc(n1)-c1nccs1 InChI=1S/C21H15N5O3S/c1-13-5-6-17(29-13)20-24-16(21-23-7-8-30-21)10-18(26-20)25-19(27)12-28-15-4-2-3-14(9-15)11-22/h2-10H,12H2,1H3,(H,24,25,26,27) BTRDGDNHKGWPRJ-UHFFFAOYSA-N 50237079 2-(3-cyanophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255860 Adenosine receptor A2a Homo sapiens 6.8 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237079&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448023 104056393 CHEMBL255860 ZINC29041630 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411860 Fc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccccn2)-c2nccs2)c1 InChI=1S/C20H14FN5O2S/c21-13-4-3-5-14(10-13)28-12-18(27)25-17-11-16(20-23-8-9-29-20)24-19(26-17)15-6-1-2-7-22-15/h1-11H,12H2,(H,24,25,26,27) QBFLDEDJGUPRBZ-UHFFFAOYSA-N 50237081 2-(3-fluorophenoxy)-N-(2-(pyridin-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide::CHEMBL255699 Adenosine receptor A2a Homo sapiens 3.6 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237081&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448032 104056395 CHEMBL255699 ZINC29041650 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411864 CN(C)Cc1cc(C)ccc1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O3/c1-16-7-9-21(20(11-16)14-31(5)6)34-15-25(33)27-23-13-24(32-18(3)12-17(2)30-32)29-26(28-23)22-10-8-19(4)35-22/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) JRSBOEXRHWTTLU-UHFFFAOYSA-N 50237088 CHEMBL256548::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-4-methylphenoxy)acetamide Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237088&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448052 104056402 CHEMBL256548 ZINC29041694 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411865 CN(C)Cc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 InChI=1S/C25H28N6O3/c1-16-12-17(2)31(29-16)23-13-22(27-25(28-23)21-11-6-18(3)34-21)26-24(32)15-33-20-9-7-19(8-10-20)14-30(4)5/h6-13H,14-15H2,1-5H3,(H,26,27,28,32) IPVNHQWAYBEVDL-UHFFFAOYSA-N 50237082 CHEMBL404863::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237082&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739309 104056396 CHEMBL404863 ZINC29041702 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411869 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(F)cc(CN3CCCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H29FN6O3/c1-17-10-18(2)34(32-17)25-14-24(30-27(31-25)23-7-6-19(3)37-23)29-26(35)16-36-22-12-20(11-21(28)13-22)15-33-8-4-5-9-33/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,29,30,31,35) ZLNPFHQZLBUZIW-UHFFFAOYSA-N 50237094 CHEMBL256332::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(pyrrolidin-1-ylmethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739812 104056408 CHEMBL256332 ZINC29041684 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411872 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2ccccc2CCN2CCOCC2)nc(n1)-c1ccc(C)o1 InChI=1S/C28H32N6O4/c1-19-16-20(2)34(32-19)26-17-25(30-28(31-26)24-9-8-21(3)38-24)29-27(35)18-37-23-7-5-4-6-22(23)10-11-33-12-14-36-15-13-33/h4-9,16-17H,10-15,18H2,1-3H3,(H,29,30,31,35) NJNUNXVUFLFRNF-UHFFFAOYSA-N 50237074 CHEMBL256755::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-(2-morpholinoethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237074&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448053 104056388 CHEMBL256755 ZINC29041700 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411875 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CCN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C28H32N6O4/c1-19-15-20(2)34(32-19)26-17-25(30-28(31-26)24-8-7-21(3)38-24)29-27(35)18-37-23-6-4-5-22(16-23)9-10-33-11-13-36-14-12-33/h4-8,15-17H,9-14,18H2,1-3H3,(H,29,30,31,35) FLJKEYOWOUCFNJ-UHFFFAOYSA-N 50237093 CHEMBL256546::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-morpholinoethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237093&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739649 104056407 CHEMBL256546 ZINC29041690 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411877 CCNCc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C25H28N6O3/c1-5-26-14-19-7-6-8-20(12-19)33-15-24(32)27-22-13-23(31-17(3)11-16(2)30-31)29-25(28-22)21-10-9-18(4)34-21/h6-13,26H,5,14-15H2,1-4H3,(H,27,28,29,32) JBRWEJMXORBYNB-UHFFFAOYSA-N 50237078 CHEMBL256123::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethylamino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237078&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739307 104056392 CHEMBL256123 ZINC29041666 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411878 COc1cccc(CN(C)C)c1OCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C InChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)23-13-22(28-26(29-23)21-11-10-18(3)36-21)27-24(33)15-35-25-19(14-31(4)5)8-7-9-20(25)34-6/h7-13H,14-15H2,1-6H3,(H,27,28,29,33) VXQXNOLFVCYRIO-UHFFFAOYSA-N 50237092 CHEMBL402781::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2-((dimethylamino)methyl)-6-methoxyphenoxy)acetamide Adenosine receptor A2a Homo sapiens 5.7 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237092&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739479 104056406 CHEMBL402781 ZINC29041698 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411879 CCN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1 InChI=1S/C26H30N6O3/c1-6-31(5)15-20-8-7-9-21(13-20)34-16-25(33)27-23-14-24(32-18(3)12-17(2)30-32)29-26(28-23)22-11-10-19(4)35-22/h7-14H,6,15-16H2,1-5H3,(H,27,28,29,33) DIUIGJUQYDIXDX-UHFFFAOYSA-N 50237083 CHEMBL256124::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237083&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739646 104056397 CHEMBL256124 ZINC29041672 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411882 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C23H24N6O3/c1-13-9-18(10-14(2)24-13)31-12-22(30)25-20-11-21(29-16(4)8-15(3)28-29)27-23(26-20)19-7-6-17(5)32-19/h6-11H,12H2,1-5H3,(H,25,26,27,30) HZUKSEBFKWBMBQ-UHFFFAOYSA-N 50237072 CHEMBL253528::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(2,6-dimethylpyridin-4-yloxy)acetamide Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237072&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44448056 104056386 CHEMBL253528 ZINC29041710 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50411885 Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cccc(CN3CCOCC3)c2)nc(n1)-c1ccc(C)o1 InChI=1S/C27H30N6O4/c1-18-13-19(2)33(31-18)25-15-24(29-27(30-25)23-8-7-20(3)37-23)28-26(34)17-36-22-6-4-5-21(14-22)16-32-9-11-35-12-10-32/h4-8,13-15H,9-12,16-17H2,1-3H3,(H,28,29,30,34) IAGBEEXFLABXGI-UHFFFAOYSA-N 50237095 CHEMBL256125::N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(morpholinomethyl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 1.2 ChEMBL 10.1016/j.bmcl.2008.02.032 10.7270/Q2VD6Z62 18329269 Zhang, X; Rueter, JK; Chen, Y; Moorjani, M; Lanier, MC; Lin, E; Gross, RS; Tellew, JE; Williams, JP; Lechner, SM; Markison, S; Joswig, T; Malany, S; Santos, M; Castro-Palomino, JC; Crespo, MI; Prat, M; Gual, S; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50237095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50237095&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24739647 104056409 CHEMBL256125 ZINC29041678 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50399310 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O InChI=1S/C18H21N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3 PPHQNKPUIYRVIK-UHFFFAOYSA-N 50221697 1,3-dimethyl-9-phenethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL239864 Adenosine receptor A2a Homo sapiens 2890 ChEMBL 10.1016/j.bmc.2007.07.051 10.7270/Q26W99TB 17827019 Drabczynska, A; Muller, CE; Schiedel, A; Schumacher, B; Karolak-Wojciechowska, J; Fruzinski, A; Zobnina, W; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3162488 104094284 CHEMBL239864 ZINC04249262 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50399331 Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3 PUJKERUFRDZALE-UHFFFAOYSA-N 50221691 9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL239232 Adenosine receptor A2a Homo sapiens 4560 ChEMBL 10.1016/j.bmc.2007.07.051 10.7270/Q26W99TB 17827019 Drabczynska, A; Muller, CE; Schiedel, A; Schumacher, B; Karolak-Wojciechowska, J; Fruzinski, A; Zobnina, W; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221691 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221691&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44437220 104094278 CHEMBL239232 ZINC28872415 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50399347 Cn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(C)c1=O InChI=1S/C18H21N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-10-3-9-22(17(23)19-15)11-8-12-4-6-13(24)7-5-12/h4-7,24H,3,8-11H2,1-2H3 DDBFFDSEFYGLOU-UHFFFAOYSA-N 50221683 9-(4-hydroxyphenethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione::CHEMBL441145 Adenosine receptor A2a Homo sapiens 630 ChEMBL 10.1016/j.bmc.2007.07.051 10.7270/Q26W99TB 17827019 Drabczynska, A; Muller, CE; Schiedel, A; Schumacher, B; Karolak-Wojciechowska, J; Fruzinski, A; Zobnina, W; Yuzlenko, O; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221683&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44437214 104094270 CHEMBL441145 ZINC28872352 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410064 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26) KAYVCWBEIZTVCN-UHFFFAOYSA-N 50233078 8-(1-benzyl-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404130 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233078&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10308937 104055644 CHEMBL404130 ZINC29037271 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410065 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cc(on2)-c2ccc(Cl)cc2)c1 InChI=1S/C21H18ClN7O3/c1-2-7-29-20(30)17-19(26-21(29)31)25-18(24-17)13-9-23-28(10-13)11-15-8-16(32-27-15)12-3-5-14(22)6-4-12/h3-6,8-10H,2,7,11H2,1H3,(H,24,25)(H,26,31) KFTSTPKLPSPVSO-UHFFFAOYSA-N 50233079 8-(1-((5-(4-chlorophenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251879 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233079&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266759 104055645 CHEMBL251879 ZINC29037360 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410073 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-11(2)8-26-18(27)15-17(24-19(26)28)23-16(22-15)13-7-21-25(10-13)9-12-4-3-5-14(20)6-12/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28) NMUVNLBTHYOWDK-UHFFFAOYSA-N 50233080 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL442434 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233080&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958761 104055646 CHEMBL442434 ZINC29037292 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410081 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) SEKFWEUZFWPIIW-UHFFFAOYSA-N 50233089 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404168 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233089&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10158974 104055655 CHEMBL404168 ZINC29037286 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410083 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C21H23FN6O2/c1-3-8-27-19-17(20(29)28(9-4-2)21(27)30)24-18(25-19)15-11-23-26(13-15)12-14-6-5-7-16(22)10-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,24,25) NJXVKVMVLZPERB-UHFFFAOYSA-N 50233076 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251869 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233076&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11654460 104055642 CHEMBL251869 ZINC29037253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410089 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-2-3-7-29-18(30)15-17(27-19(29)31)26-16(25-15)13-9-24-28(11-13)10-12-5-4-6-14(8-12)20(21,22)23/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,25,26)(H,27,31) WHFPIHBGEYJNRV-UHFFFAOYSA-N 50233092 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL253049 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233092&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958745 104055658 CHEMBL253049 ZINC29037290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410092 Clc1ccc(cc1)-c1nc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)no1 InChI=1S/C21H17ClN8O3/c22-14-5-3-12(4-6-14)19-24-15(28-33-19)10-29-9-13(7-23-29)17-25-16-18(26-17)27-21(32)30(20(16)31)8-11-1-2-11/h3-7,9,11H,1-2,8,10H2,(H,25,26)(H,27,32) FWCSLQNJBDINJZ-UHFFFAOYSA-N 50233093 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL252074 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233093&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266756 104055659 CHEMBL252074 ZINC29037343 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410093 CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C17H15FN6O2/c1-2-24-16(25)13-15(22-17(24)26)21-14(20-13)11-7-19-23(9-11)8-10-4-3-5-12(18)6-10/h3-7,9H,2,8H2,1H3,(H,20,21)(H,22,26) LMHCZAIOWQUQDU-UHFFFAOYSA-N 50233094 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251875 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266730 104055660 CHEMBL251875 ZINC29037281 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410097 Fc1cccc(Cn2cc(cn2)-c2nc3[nH]c(=O)n(CC4CC4)c(=O)c3[nH]2)c1 InChI=1S/C19H17FN6O2/c20-14-3-1-2-12(6-14)8-25-10-13(7-21-25)16-22-15-17(23-16)24-19(28)26(18(15)27)9-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23)(H,24,28) MPEVYLSAXRNPKT-UHFFFAOYSA-N 50233099 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL253252 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958775 104055665 CHEMBL253252 ZINC29037297 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410099 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C20H19F3N6O2/c1-11(2)8-29-18(30)15-17(27-19(29)31)26-16(25-15)13-7-24-28(10-13)9-12-4-3-5-14(6-12)20(21,22)23/h3-7,10-11H,8-9H2,1-2H3,(H,25,26)(H,27,31) WALBISMSNYUHII-UHFFFAOYSA-N 50233096 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1-isobutyl-1H-purine-2,6(3H,7H)-dione::CHEMBL404348 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233096&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958525 104055662 CHEMBL404348 ZINC29037294 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410107 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C21H24N6O2/c1-3-10-26-19-17(20(28)27(11-4-2)21(26)29)23-18(24-19)16-12-22-25(14-16)13-15-8-6-5-7-9-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,23,24) IWZAITCKZZQXCV-UHFFFAOYSA-N 50233081 8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6-(3H,7H)-dione::CHEMBL254725 Adenosine receptor A2a Homo sapiens 290 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233081&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9821879 104055647 CHEMBL254725 ZINC29037241 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410109 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1 InChI=1S/C19H19FN6O2/c1-2-3-7-26-18(27)15-17(24-19(26)28)23-16(22-15)13-9-21-25(11-13)10-12-5-4-6-14(20)8-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,22,23)(H,24,28) JBGRNTKBOQPADE-UHFFFAOYSA-N 50233102 8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL253048 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233102&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10150517 104055668 CHEMBL253048 ZINC29037288 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410111 O=c1[nH]c2nc([nH]c2c(=O)n1CC1CC1)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H18N6O2/c26-18-15-17(23-19(27)25(18)10-13-6-7-13)22-16(21-15)14-8-20-24(11-14)9-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,22)(H,23,27) RYWZIMZRPYRIOR-UHFFFAOYSA-N 50233087 8-(1-benzyl-1H-pyrazol-4-yl)-1-(cyclopropylmethyl)-1H-purine-2,6(3H,7H)-dione::CHEMBL252069 Adenosine receptor A2a Homo sapiens 2760 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233087&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958524 104055653 CHEMBL252069 ZINC29037277 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410120 CC(C)Cn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C22H19F3N8O3/c1-11(2)8-33-20(34)16-18(30-21(33)35)29-17(28-16)13-7-26-32(9-13)10-15-27-19(36-31-15)12-3-5-14(6-4-12)22(23,24)25/h3-7,9,11H,8,10H2,1-2H3,(H,28,29)(H,30,35) DLJCOAYSXAVQNE-UHFFFAOYSA-N 50233077 1-isobutyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL401834 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233077&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266741 104055643 CHEMBL401834 ZINC29037339 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410122 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) HWHLLTUJISZFDN-UHFFFAOYSA-N 50233086 8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL252048::CVT-6694 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233086&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10226014 104055652 CHEMBL252048 ZINC29037323 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410128 CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C(F)(F)F)c1 InChI=1S/C21H17F3N8O3/c1-2-7-32-19(33)15-17(29-20(32)34)28-16(27-15)12-8-25-31(9-12)10-14-26-18(35-30-14)11-3-5-13(6-4-11)21(22,23)24/h3-6,8-9H,2,7,10H2,1H3,(H,27,28)(H,29,34) KZGZJGCFZAFFTF-UHFFFAOYSA-N 50233104 1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::CHEMBL427887 Adenosine receptor A2a Homo sapiens >5000 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233104&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22266776 104055670 CHEMBL427887 ZINC29037331 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410141 CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2ccccc2)c1 InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27) KWOQGNHDXLJPBS-UHFFFAOYSA-N 50233084 8-(1-benzyl-1H-pyrazol-4-yl)-1-butyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251874 Adenosine receptor A2a Homo sapiens 3400 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233084&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21958725 104055650 CHEMBL251874 ZINC29037272 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50410143 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 InChI=1S/C22H23F3N6O2/c1-3-8-30-19-17(20(32)31(9-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-6-5-7-16(10-14)22(23,24)25/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,27,28) IDMQLXNSDSLNNR-UHFFFAOYSA-N 50233082 8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione::CHEMBL251870 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1016/j.bmcl.2008.01.008 10.7270/Q2319VMQ 18226896 Kalla, RV; Elzein, E; Perry, T; Li, X; Gimbel, A; Yang, M; Zeng, D; Zablocki, J CV Therapeutics Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50233082&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9890439 104055648 CHEMBL251870 ZINC29037255 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429823 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H17ClIN5O2/c19-18-23-16(21-6-8-2-1-3-9(20)4-8)12-17(24-18)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 GSPXPSPDVBRJRV-JHOKLZQASA-N 50264213 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490605 Adenosine receptor A2a Homo sapiens 1080 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264213&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579714 104112291 CHEMBL490605 ZINC45506184 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429824 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C18H17Cl2N5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JDKVLAUQQJFNTK-JHOKLZQASA-N 50264214 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(2-chloro-6-(3-chlorobenzylamino)-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL523797 Adenosine receptor A2a Homo sapiens 4510 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264214&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579715 104112292 CHEMBL523797 ZINC40422996 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429825 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 InChI=1S/C18H17BrClN5O2/c19-9-3-1-2-8(4-9)6-21-16-12-17(24-18(20)23-16)25(7-22-12)13-10-5-11(10)14(26)15(13)27/h1-4,7,10-11,13-15,26-27H,5-6H2,(H,21,23,24)/t10-,11+,13+,14+,15-/m0/s1 JUPXOEIJARYGJE-JHOKLZQASA-N 50264215 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::(1R,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chloro-9H-purin-9-yl)bicyclo[3.1.0]hexane-2,3-diol::CHEMBL490606 Adenosine receptor A2a Homo sapiens 1600 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264215&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579716 104112293 CHEMBL490606 ZINC45506325 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429826 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 InChI=1S/C22H20ClN5O2/c23-22-26-20(24-9-12-6-3-5-11-4-1-2-7-13(11)12)16-21(27-22)28(10-25-16)17-14-8-15(14)18(29)19(17)30/h1-7,10,14-15,17-19,29-30H,8-9H2,(H,24,26,27)/t14-,15+,17+,18+,19-/m0/s1 BOTLKWAQAFJQRW-KFXXHRTLSA-N 50264216 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL490607 Adenosine receptor A2a Homo sapiens 1530 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264216&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579717 104112294 CHEMBL490607 ZINC45506328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429827 COc1ccc(OC)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 InChI=1S/C20H22ClN5O4/c1-29-10-3-4-13(30-2)9(5-10)7-22-18-14-19(25-20(21)24-18)26(8-23-14)15-11-6-12(11)16(27)17(15)28/h3-5,8,11-12,15-17,27-28H,6-7H2,1-2H3,(H,22,24,25)/t11-,12+,15+,16+,17-/m0/s1 YQPCMZCRQXUVAU-GHVWTTSJSA-N 50264169 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2,5-dimethoxybenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL490405 Adenosine receptor A2a Homo sapiens 2620 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264169&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579673 104112267 CHEMBL490405 ZINC40949287 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429828 COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 InChI=1S/C19H20ClN5O4/c1-29-9-2-3-12(26)8(4-9)6-21-17-13-18(24-19(20)23-17)25(7-22-13)14-10-5-11(10)15(27)16(14)28/h2-4,7,10-11,14-16,26-28H,5-6H2,1H3,(H,21,23,24)/t10-,11+,14+,15+,16-/m0/s1 DVJBTFRGRNLCBG-WUFOEMFESA-N 50264170 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-methoxybenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL522434 Adenosine receptor A2a Homo sapiens 6870 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264170&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579674 104112268 CHEMBL522434 ZINC40424102 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429829 O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]3c3ccccc3)nc(Cl)nc12 InChI=1S/C20H20ClN5O2/c21-20-24-18(23-13-7-10(13)9-4-2-1-3-5-9)14-19(25-20)26(8-22-14)15-11-6-12(11)16(27)17(15)28/h1-5,8,10-13,15-17,27-28H,6-7H2,(H,23,24,25)/t10-,11+,12-,13+,15-,16-,17+/m1/s1 ZGLFUGCOCLZCQG-XWAOVWAASA-N 50264171 (1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(trans-2-phenylcyclopropylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane::CHEMBL489795 Adenosine receptor A2a Homo sapiens 2010 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264171&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579675 104112269 CHEMBL489795 ZINC45496206 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429867 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5360 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429868 CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 SSKBQNVCIHZKNS-MOROJQBDSA-N 50177307 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic aciddimethylamide::CHEMBL373065 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177307&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11678491 104062775 CHEMBL373065 ZINC28568835 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429869 COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H17ClIN5O5/c1-29-17(28)13-11(26)12(27)16(30-13)25-7-22-10-14(23-18(19)24-15(10)25)21-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,16,26-27H,6H2,1H3,(H,21,23,24)/t11-,12+,13-,16+/m0/s1 OOKIJVLUCWYHJJ-RSUWNVLCSA-N 50264163 5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methyl ester::CHEMBL489175 Adenosine receptor A2a Homo sapiens 4770 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264163&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579667 104112261 CHEMBL489175 ZINC49877870 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429873 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 InChI=1S/C21H22Cl2N6O4/c1-24-19(32)21-6-11(21)14(15(30)16(21)31)29-8-26-13-17(27-20(23)28-18(13)29)25-7-9-5-10(22)3-4-12(9)33-2/h3-5,8,11,14-16,30-31H,6-7H2,1-2H3,(H,24,32)(H,25,27,28)/t11-,14-,15+,16+,21+/m1/s1 SDIFQMIJZMPOMA-QNEDUEMWSA-N 50163016 (1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::1N-methyl-4-[2-chloro-6-(5-chloro-2-methoxybenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL353319 Adenosine receptor A2a Homo sapiens 1200 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163016&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11329375 104049109 CHEMBL353319 ZINC13611548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429870 CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O5/c1-30-25-16(29)13-11(27)12(28)17(31-13)26-7-22-10-14(23-18(19)24-15(10)26)21-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,25,29)(H,21,23,24)/t11-,12+,13-,17+/m0/s1 XBEYTDKCEMOOOY-PFHKOEEOSA-N 50264164 5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methoxy-amide::CHEMBL491416 Adenosine receptor A2a Homo sapiens 1670 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50264164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50264164&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44579668 104112262 CHEMBL491416 ZINC49878048 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429871 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 AGCJNWSEWOWGRS-DDDALXFXSA-N 50100418 (1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-iodobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL27376 Adenosine receptor A2a Homo sapiens 784 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9850648 103997193 CHEMBL27376 ZINC28764076 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50429872 CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1 GAYWHRPOIWFKIF-DDDALXFXSA-N 50163020 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide::(1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide::1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide::CHEMBL175543 Adenosine receptor A2a Homo sapiens 2300 ChEMBL 10.1016/j.bmc.2008.08.007 10.7270/Q20R9P71 18752961 Melman, A; Wang, B; Joshi, BV; Gao, ZG; Castro, S; Heller, CL; Kim, SK; Jeong, LS; Jacobson, KA National Institute of Diabetes and Digestive and Kidney Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50163020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50163020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11248240 104049113 CHEMBL175543 ZINC13611544 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419416 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419417 Nc1nc2n(CCN3Cc4ccccc4C3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H18N8O/c21-20-24-18-15(19-23-17(25-28(19)20)16-6-3-9-29-16)10-22-27(18)8-7-26-11-13-4-1-2-5-14(13)12-26/h1-6,9-10H,7-8,11-12H2,(H2,21,24) ITVVLTZOGNJXPY-UHFFFAOYSA-N 50243656 7-[2-(1,3-Dihydro-isoindol-2-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL471923 Adenosine receptor A2a Homo sapiens 14.7 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243656&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10126504 104099895 CHEMBL471923 ZINC34270328 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419418 COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C21H20N8O2/c1-30-15-5-4-13-11-27(12-14(13)9-15)6-7-28-19-16(10-23-28)20-24-18(17-3-2-8-31-17)26-29(20)21(22)25-19/h2-5,8-10H,6-7,11-12H2,1H3,(H2,22,25) CMGVRLPXTCGYEI-UHFFFAOYSA-N 50242936 2-Furan-2-yl-7-[2-(5-methoxy-1,3-dihydro-isoindol-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469876 Adenosine receptor A2a Homo sapiens 5.4 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242936&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10287801 104099334 CHEMBL469876 ZINC38460247 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419419 Nc1nc2n(CCN3CCc4ncc(cc4C3)-c3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C26H23N9O/c27-26-31-24-20(25-30-23(32-35(25)26)22-7-4-12-36-22)15-29-34(24)11-10-33-9-8-21-19(16-33)13-18(14-28-21)17-5-2-1-3-6-17/h1-7,12-15H,8-11,16H2,(H2,27,31) STSFNYOXZHOPBF-UHFFFAOYSA-N 50242941 2-Furan-2-yl-7-[2-(3-phenyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469879 Adenosine receptor A2a Homo sapiens 17.9 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242941&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10174142 104099339 CHEMBL469879 ZINC34377377 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419420 Nc1nc2n(CCN3CCc4nc(ccc4C3)C(F)(F)F)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C21H18F3N9O/c22-21(23,24)16-4-3-12-11-31(6-5-14(12)27-16)7-8-32-18-13(10-26-32)19-28-17(15-2-1-9-34-15)30-33(19)20(25)29-18/h1-4,9-10H,5-8,11H2,(H2,25,29) ODSXUSBPNQVILJ-UHFFFAOYSA-N 50242940 2-Furan-2-yl-7-[2-(2-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL511446 Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242940&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10174023 104099338 CHEMBL511446 ZINC34377231 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419421 Nc1nc2n(CCN3CCc4ncncc4C3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C19H18N10O/c20-19-25-17-13(18-24-16(26-29(18)19)15-2-1-7-30-15)9-23-28(17)6-5-27-4-3-14-12(10-27)8-21-11-22-14/h1-2,7-9,11H,3-6,10H2,(H2,20,25) DUPBUOFRJYKFEM-UHFFFAOYSA-N 50242939 7-[2-(7,8-Dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL513030 Adenosine receptor A2a Homo sapiens 6.2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242939&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10216181 104099337 CHEMBL513030 ZINC38388877 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419422 COCCOc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C23H25N9O3/c1-33-9-10-34-16-11-15-14-30(5-4-18(15)25-12-16)6-7-31-21-17(13-26-31)22-27-20(19-3-2-8-35-19)29-32(22)23(24)28-21/h2-3,8,11-13H,4-7,9-10,14H2,1H3,(H2,24,28) WTVGRQMKZKEDRJ-UHFFFAOYSA-N 50242876 2-Furan-2-yl-7-{2-[3-(2-methoxy-ethoxy)-7,8-dihydro-5H-[1,6]naphthyridin-6-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL470089 Adenosine receptor A2a Homo sapiens 3.1 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242876&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10310914 104099295 CHEMBL470089 ZINC38481205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419423 Nc1nc2n(CCN3CCc4ncc(Br)cc4C3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H18BrN9O/c21-13-8-12-11-28(4-3-15(12)23-9-13)5-6-29-18-14(10-24-29)19-25-17(16-2-1-7-31-16)27-30(19)20(22)26-18/h1-2,7-10H,3-6,11H2,(H2,22,26) YHFOKFNTOSKBLQ-UHFFFAOYSA-N 50242875 7-[2-(3-Bromo-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL470088 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242875&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10195616 104099294 CHEMBL470088 ZINC40896261 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419424 Nc1nc2n(CCN3CCc4ncc(cc4C3)C3CC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H23N9O/c24-23-28-21-17(22-27-20(29-32(22)23)19-2-1-9-33-19)12-26-31(21)8-7-30-6-5-18-16(13-30)10-15(11-25-18)14-3-4-14/h1-2,9-12,14H,3-8,13H2,(H2,24,28) RBQLDUMEVCNBFA-UHFFFAOYSA-N 50242874 7-[2-(3-Cyclopropyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469893 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242874&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10288204 104099293 CHEMBL469893 ZINC38460716 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419425 Cc1cnc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C21H21N9O/c1-13-9-14-12-28(5-4-16(14)23-10-13)6-7-29-19-15(11-24-29)20-25-18(17-3-2-8-31-17)27-30(20)21(22)26-19/h2-3,8-11H,4-7,12H2,1H3,(H2,22,26) VKHRKRHXPXOULC-UHFFFAOYSA-N 50242873 2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL513364 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242873 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242873&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10287779 104099292 CHEMBL513364 ZINC38460221 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419426 Nc1nc2n(CCN3CCc4ncccc4C3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C20H19N9O/c21-20-25-18-14(19-24-17(26-29(19)20)16-4-2-10-30-16)11-23-28(18)9-8-27-7-5-15-13(12-27)3-1-6-22-15/h1-4,6,10-11H,5,7-9,12H2,(H2,21,25) OQCSYAZJULLDGN-UHFFFAOYSA-N 50243698 7-[2-(7,8-Dihydro-5H-[1,6]naphthyridin-6-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL471554 Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243698 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243698&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10150788 104099926 CHEMBL471554 ZINC34323398 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419427 COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 InChI=1S/C25H28N8O3/c1-34-13-14-35-19-5-4-17-6-8-31(9-7-18(17)15-19)10-11-32-23-20(16-27-32)24-28-22(21-3-2-12-36-21)30-33(24)25(26)29-23/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,26,29) ZVMSMWQJEBVKMH-UHFFFAOYSA-N 50243697 2-Furan-2-yl-7-{2-[7-(2-methoxy-ethoxy)-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL471553 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243697 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243697&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10288990 104099925 CHEMBL471553 ZINC38461711 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419428 COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 InChI=1S/C23H24N8O2/c1-32-17-5-4-15-6-8-29(9-7-16(15)13-17)10-11-30-21-18(14-25-30)22-26-20(19-3-2-12-33-19)28-31(22)23(24)27-21/h2-5,12-14H,6-11H2,1H3,(H2,24,27) BVHMBGRGSSKLPD-UHFFFAOYSA-N 50243696 2-Furan-2-yl-7-[2-(7-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL472114 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9955121 104099924 CHEMBL472114 ZINC34047832 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419429 Nc1nc2n(CCN3CCc4ccc(Cl)cc4CC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21ClN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27) SVZWIANPQODYPS-UHFFFAOYSA-N 50243695 7-[2-(7-Chloro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL512892 Adenosine receptor A2a Homo sapiens 3.3 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10216962 104099923 CHEMBL512892 ZINC38389724 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419430 Nc1nc2n(CCN3CCc4ccc(Br)cc4CC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21BrN8O/c23-16-4-3-14-5-7-29(8-6-15(14)12-16)9-10-30-20-17(13-25-30)21-26-19(18-2-1-11-32-18)28-31(21)22(24)27-20/h1-4,11-13H,5-10H2,(H2,24,27) BYBYOCSOAACENO-UHFFFAOYSA-N 50243661 7-[2-(7-Bromo-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL472112 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243661&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10152242 104099900 CHEMBL472112 ZINC34326215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419431 Nc1nc2n(CCN3CCc4ccc(cc4CC3)[N+]([O-])=O)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H21N9O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-11-34-18)13-24-29(20)10-9-28-7-5-14-3-4-16(31(32)33)12-15(14)6-8-28/h1-4,11-13H,5-10H2,(H2,23,26) FWZQSNQBDAECAU-UHFFFAOYSA-N 50243660 2-Furan-2-yl-7-[2-(7-nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL472111 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243660&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10310635 104099899 CHEMBL472111 ZINC38480866 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419432 Nc1nc2n(CCN3CCc4ccccc4CC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H22N8O/c23-22-26-20-17(21-25-19(27-30(21)22)18-6-3-13-31-18)14-24-29(20)12-11-28-9-7-15-4-1-2-5-16(15)8-10-28/h1-6,13-14H,7-12H2,(H2,23,26) AXJYZMUVADCUOK-UHFFFAOYSA-N 50243659 2-Furan-2-yl-7-[2-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL472110 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243659&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10287757 104099898 CHEMBL472110 ZINC38460190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419433 COCCOc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C24H26N8O3/c1-33-11-12-34-18-5-4-16-6-7-30(15-17(16)13-18)8-9-31-22-19(14-26-31)23-27-21(20-3-2-10-35-20)29-32(23)24(25)28-22/h2-5,10,13-14H,6-9,11-12,15H2,1H3,(H2,25,28) UNAZPKBCNPDTAE-UHFFFAOYSA-N 50243658 2-Furan-2-yl-7-{2-[7-(2-methoxy-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL512891 Adenosine receptor A2a Homo sapiens 5.1 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10127905 104099897 CHEMBL512891 ZINC34272065 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419434 COc1ccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2c1 InChI=1S/C22H22N8O2/c1-31-16-5-4-14-6-7-28(13-15(14)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26) WOQYUHFMBSSZLC-UHFFFAOYSA-N 50243029 2-Furan-2-yl-7-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469674 Adenosine receptor A2a Homo sapiens 3.2 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243029&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10127218 104099390 CHEMBL469674 ZINC34271204 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419435 COc1ccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)CCc2c1 InChI=1S/C22H22N8O2/c1-31-16-5-4-15-13-28(7-6-14(15)11-16)8-9-29-20-17(12-24-29)21-25-19(18-3-2-10-32-18)27-30(21)22(23)26-20/h2-5,10-12H,6-9,13H2,1H3,(H2,23,26) DRWJPOTZQUCTJY-UHFFFAOYSA-N 50243028 2-Furan-2-yl-7-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469673 Adenosine receptor A2a Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10288019 104099389 CHEMBL469673 ZINC38460488 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419436 COCCOc1cccc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 InChI=1S/C24H26N8O3/c1-33-12-13-35-19-5-2-4-16-7-8-30(15-18(16)19)9-10-31-22-17(14-26-31)23-27-21(20-6-3-11-34-20)29-32(23)24(25)28-22/h2-6,11,14H,7-10,12-13,15H2,1H3,(H2,25,28) KAMBRAXVIADTNI-UHFFFAOYSA-N 50243027 2-Furan-2-yl-7-{2-[8-(2-methoxy-ethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL512133 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243027&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44560507 104099388 CHEMBL512133 ZINC40401177 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419437 COc1cc2CCN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)C(Cc3ccccc3)c2cc1OC InChI=1S/C30H30N8O3/c1-39-25-16-20-10-11-36(23(21(20)17-26(25)40-2)15-19-7-4-3-5-8-19)12-13-37-28-22(18-32-37)29-33-27(24-9-6-14-41-24)35-38(29)30(31)34-28/h3-9,14,16-18,23H,10-13,15H2,1-2H3,(H2,31,34) WQKKBJJIAPXMJO-UHFFFAOYSA-N 50243026 7-[2-(1-Benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL510959 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10152925 104099387 CHEMBL510959 ZINC42851534 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419438 COc1cc2CC(C)N(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc2cc1OC InChI=1S/C24H26N8O3/c1-14-9-15-10-19(33-2)20(34-3)11-16(15)13-30(14)6-7-31-22-17(12-26-31)23-27-21(18-5-4-8-35-18)29-32(23)24(25)28-22/h4-5,8,10-12,14H,6-7,9,13H2,1-3H3,(H2,25,28) CQSMMVCSCDSVCG-UHFFFAOYSA-N 50243025 7-[2-(6,7-Dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL470087 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10288740 104099386 CHEMBL470087 ZINC38461400 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419439 Nc1nc2n(CCN3CCc4ccccc4C3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C21H20N8O/c22-21-25-19-16(20-24-18(26-29(20)21)17-6-3-11-30-17)12-23-28(19)10-9-27-8-7-14-4-1-2-5-15(14)13-27/h1-6,11-12H,7-10,13H2,(H2,22,25) OTQDGXDYTSLVAQ-UHFFFAOYSA-N 50242937 7-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469877 Adenosine receptor A2a Homo sapiens 4.1 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242937&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44560456 104099335 CHEMBL469877 ZINC40402082 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419440 COCCOc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 InChI=1S/C23H24N8O3/c1-32-10-11-34-18-5-2-4-15-13-29(14-17(15)18)7-8-30-21-16(12-25-30)22-26-20(19-6-3-9-33-19)28-31(22)23(24)27-21/h2-6,9,12H,7-8,10-11,13-14H2,1H3,(H2,24,27) SBZVOYPDJJFXDY-UHFFFAOYSA-N 50242935 2-Furan-2-yl-7-{2-[4-(2-methoxy-ethoxy)-1,3-dihydro-isoindol-2-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL469874 Adenosine receptor A2a Homo sapiens 7.1 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50242935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50242935&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10238586 104099333 CHEMBL469874 ZINC38413148 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419441 COc1cccc2CN(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)Cc12 InChI=1S/C21H20N8O2/c1-30-16-5-2-4-13-11-27(12-15(13)16)7-8-28-19-14(10-23-28)20-24-18(17-6-3-9-31-17)26-29(20)21(22)25-19/h2-6,9-10H,7-8,11-12H2,1H3,(H2,22,25) XFWXNSGRFYLZFS-UHFFFAOYSA-N 50243657 2-Furan-2-yl-7-[2-(4-methoxy-1,3-dihydro-isoindol-2-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL471924 Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2008.05.069 10.7270/Q2JS9Q7R 18558486 Shah, U; Lankin, CM; Boyle, CD; Chackalamannil, S; Greenlee, WJ; Neustadt, BR; Cohen-Williams, ME; Higgins, GA; Ng, K; Varty, GB; Zhang, H; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50243657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50243657&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10173234 104099896 CHEMBL471924 ZINC34375577 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419590 Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22) UTLPKQYUXOEJIL-UHFFFAOYSA-N 50048466 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)::CHEMBL17127::SCH-58261::SCH58261::US11440916, HZ10126 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50048466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50048466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 176408 103978930 CHEMBL17127 431 ZINC00006170 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419591 Nc1nc2n(CCc3ccc(cc3)-c3ccccc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C24H19N7O/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-14-32-20)15-26-30(22)13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14-15H,12-13H2,(H2,25,28) UFROJDFLPLJFOY-UHFFFAOYSA-N 50252009 7-(2-Biphenyl-4-yl-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL482078 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252009&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568290 104104992 CHEMBL482078 ZINC40934341 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419592 Nc1nc2n(CCc3ccc4nc(ccc4c3)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C25H23N9O2/c26-25-30-23-18(24-29-22(31-34(24)25)20-2-1-11-36-20)15-27-33(23)8-7-16-3-5-19-17(14-16)4-6-21(28-19)32-9-12-35-13-10-32/h1-6,11,14-15H,7-10,12-13H2,(H2,26,30) SWZNMMUDNJMKIZ-UHFFFAOYSA-N 50252211 2-Furan-2-yl-7-[2-(2-morpholin-4-yl-quinolin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL479784 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252211&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568403 104105169 CHEMBL479784 ZINC40414246 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419593 CC(N1CCOCC1)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1 InChI=1S/C27H27N9O2/c1-17(34-10-13-37-14-11-34)21-7-5-19-15-18(4-6-22(19)30-21)8-9-35-25-20(16-29-35)26-31-24(23-3-2-12-38-23)33-36(26)27(28)32-25/h2-7,12,15-17H,8-11,13-14H2,1H3,(H2,28,32) BVDULJDAQZQQCT-UHFFFAOYSA-N 50252210 2-Furan-2-yl-7-{2-[2-(1-morpholin-4-yl-ethyl)-quinolin-6-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL516753 Adenosine receptor A2a Homo sapiens 1.3 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252210&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568402 104105168 CHEMBL516753 ZINC40414116 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419594 Nc1nc2n(CCc3ccc4nc(ccc4c3)C(=O)N3CCOCC3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C26H23N9O3/c27-26-31-23-18(24-30-22(32-35(24)26)21-2-1-11-38-21)15-28-34(23)8-7-16-3-5-19-17(14-16)4-6-20(29-19)25(36)33-9-12-37-13-10-33/h1-6,11,14-15H,7-10,12-13H2,(H2,27,31) FEZAUPQJLJCQHD-UHFFFAOYSA-N 50252209 CHEMBL482138::{6-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-quinolin-2-yl}-morpholin-4-yl-methanone Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252209&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568401 104105167 CHEMBL482138 ZINC40935560 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419595 Nc1nc2n(CCc3ccc4nc(CN5CCOCC5)ccc4c3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C26H25N9O2/c27-26-31-24-20(25-30-23(32-35(25)26)22-2-1-11-37-22)15-28-34(24)8-7-17-3-6-21-18(14-17)4-5-19(29-21)16-33-9-12-36-13-10-33/h1-6,11,14-15H,7-10,12-13,16H2,(H2,27,31) OGOBUCCRRODXQN-UHFFFAOYSA-N 50252166 2-Furan-2-yl-7-[2-(2-morpholin-4-ylmethyl-quinolin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481147 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252166&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568376 104105131 CHEMBL481147 ZINC40934301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419596 COCCOC(C)c1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1 InChI=1S/C26H26N8O3/c1-16(36-13-12-35-2)20-8-6-18-14-17(5-7-21(18)29-20)9-10-33-24-19(15-28-33)25-30-23(22-4-3-11-37-22)32-34(25)26(27)31-24/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H2,27,31) WZJDPQPHKCQBOE-UHFFFAOYSA-N 50252165 2-Furan-2-yl-7-(2-{2-[1-(2-methoxy-ethoxy)-ethyl]-quinolin-6-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481146 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252165&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568375 104105130 CHEMBL481146 ZINC40934300 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419597 COCCOCc1ccc2cc(CCn3ncc4c3nc(N)n3nc(nc43)-c3ccco3)ccc2n1 InChI=1S/C25H24N8O3/c1-34-11-12-35-15-18-6-5-17-13-16(4-7-20(17)28-18)8-9-32-23-19(14-27-32)24-29-22(21-3-2-10-36-21)31-33(24)25(26)30-23/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H2,26,30) HOAKHHWOQWLUCC-UHFFFAOYSA-N 50252164 2-Furan-2-yl-7-{2-[2-(2-methoxy-ethoxymethyl)-quinolin-6-yl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL480177 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252164&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568374 104105129 CHEMBL480177 ZINC40935672 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419598 CCc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1 InChI=1S/C23H20N8O/c1-2-16-7-6-15-12-14(5-8-18(15)26-16)9-10-30-21-17(13-25-30)22-27-20(19-4-3-11-32-19)29-31(22)23(24)28-21/h3-8,11-13H,2,9-10H2,1H3,(H2,24,28) ZIZUVCJZQRUYKZ-UHFFFAOYSA-N 50252163 7-[2-(2-Ethyl-quinolin-6-yl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481956 Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252163&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568373 104105128 CHEMBL481956 ZINC40933849 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419599 Cc1ccc2cc(CCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)ccc2n1 InChI=1S/C22H18N8O/c1-13-4-6-15-11-14(5-7-17(15)25-13)8-9-29-20-16(12-24-29)21-26-19(18-3-2-10-31-18)28-30(21)22(23)27-20/h2-7,10-12H,8-9H2,1H3,(H2,23,27) FCSLYUBEYDUDTP-UHFFFAOYSA-N 50252113 2-Furan-2-yl-7-[2-(2-methyl-quinolin-6-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL520782 Adenosine receptor A2a Homo sapiens 2.4 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252113&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24894065 104105086 CHEMBL520782 ZINC11689564 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419600 Nc1nc2n(CCc3ccc(cn3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N9O/c23-22-28-20-17(21-27-19(29-31(21)22)18-4-2-10-32-18)13-26-30(20)9-7-16-6-5-15(12-25-16)14-3-1-8-24-11-14/h1-6,8,10-13H,7,9H2,(H2,23,28) WWSBZIYPSSONBC-UHFFFAOYSA-N 50252112 7-(2-[3,3']Bipyridinyl-6-yl-ethyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL482283 Adenosine receptor A2a Homo sapiens 11.4 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252112&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568345 104105085 CHEMBL482283 ZINC40934966 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419601 Nc1nc2n(CCc3cccc(c3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H18N8O/c24-23-28-21-18(22-27-20(29-31(22)23)19-7-3-11-32-19)14-26-30(21)10-8-15-4-1-5-16(12-15)17-6-2-9-25-13-17/h1-7,9,11-14H,8,10H2,(H2,24,28) AIRHMBDFGCQOLF-UHFFFAOYSA-N 50252111 2-Furan-2-yl-7-[2-(3-pyridin-3-yl-phenyl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL519282 Adenosine receptor A2a Homo sapiens 5.5 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252111&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568344 104105084 CHEMBL519282 ZINC40933463 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419602 Nc1nc2n(CCc3ccc(cc3)-c3cnccn3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C22H17N9O/c23-22-28-20-16(21-27-19(29-31(21)22)18-2-1-11-32-18)12-26-30(20)10-7-14-3-5-15(6-4-14)17-13-24-8-9-25-17/h1-6,8-9,11-13H,7,10H2,(H2,23,28) DOGUWNXVVNWFSX-UHFFFAOYSA-N 50252110 2-Furan-2-yl-7-[2-(4-pyrazin-2-yl-phenyl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481132 Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252110&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21363905 104105083 CHEMBL481132 ZINC40414535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419603 Cc1ccc(cn1)-c1ccc(CCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1 InChI=1S/C24H20N8O/c1-15-4-7-18(13-26-15)17-8-5-16(6-9-17)10-11-31-22-19(14-27-31)23-28-21(20-3-2-12-33-20)30-32(23)24(25)29-22/h2-9,12-14H,10-11H2,1H3,(H2,25,29) ATPCNDHBETYULE-UHFFFAOYSA-N 50252063 2-Furan-2-yl-7-{2-[4-(6-methyl-pyridin-3-yl)-phenyl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL519111 Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252063&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568316 104105042 CHEMBL519111 ZINC40411190 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419604 COc1ccc(cn1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C24H20N8O2/c1-33-20-9-8-17(13-26-20)16-6-4-15(5-7-16)10-11-31-22-18(14-27-31)23-28-21(19-3-2-12-34-19)30-32(23)24(25)29-22/h2-9,12-14H,10-11H2,1H3,(H2,25,29) PWHABXXQGDCLMN-UHFFFAOYSA-N 50252062 2-Furan-2-yl-7-{2-[4-(6-methoxy-pyridin-3-yl)-phenyl]-ethyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481771 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252062&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568315 104105041 CHEMBL481771 ZINC40935530 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419605 Nc1nc2n(CCc3ccc(cc3)-c3cccnc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C23H18N8O/c24-23-28-21-18(22-27-20(29-31(22)23)19-4-2-12-32-19)14-26-30(21)11-9-15-5-7-16(8-6-15)17-3-1-10-25-13-17/h1-8,10,12-14H,9,11H2,(H2,24,28) ZJQSURJYBMOICS-UHFFFAOYSA-N 50252061 2-Furan-2-yl-7-[2-(4-pyridin-3-yl-phenyl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL519784 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252061&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21363898 104105040 CHEMBL519784 ZINC40935253 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419606 Nc1nc2n(CCc3ccc(cc3)-c3ccc(OC(F)(F)F)cc3)ncc2c2nc(nn12)-c1ccco1 InChI=1S/C25H18F3N7O2/c26-25(27,28)37-18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-34-22-19(14-30-34)23-31-21(20-2-1-13-36-20)33-35(23)24(29)32-22/h1-10,13-14H,11-12H2,(H2,29,32) FFTCIKDXCKAATQ-UHFFFAOYSA-N 50252060 2-Furan-2-yl-7-[2-(4'-trifluoromethoxy-biphenyl-4-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL481770 Adenosine receptor A2a Homo sapiens 7.8 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252060&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568314 104105039 CHEMBL481770 ZINC40935252 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50419607 COc1ccc(cc1)-c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 InChI=1S/C25H21N7O2/c1-33-19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-13-31-23-20(15-27-31)24-28-22(21-3-2-14-34-21)30-32(24)25(26)29-23/h2-11,14-15H,12-13H2,1H3,(H2,26,29) RDDAZCQWEKJYCD-UHFFFAOYSA-N 50252010 2-Furan-2-yl-7-[2-(4'-methoxy-biphenyl-4-yl)-ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL521438 Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2008.05.074 10.7270/Q2X34X89 18562199 Shah, U; Boyle, CD; Chackalamannil, S; Neustadt, BR; Lindo, N; Greenlee, WJ; Foster, C; Arik, L; Zhai, Y; Ng, K; Wang, S; Monopoli, A; Lachowicz, JE Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44568291 104104993 CHEMBL521438 ZINC40421018 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441341 COc1cc(ccc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C18H23N5O4/c1-21(2)8-9-27-12-7-6-11(10-13(12)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20) SVMXCMXOKKBEET-UHFFFAOYSA-N 50279730 8-[4-(2-Dimethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL472684 Adenosine receptor A2a Homo sapiens 600 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279730&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631613 104121447 CHEMBL472684 ZINC40914066 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441342 CCN(CC)CCOc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-14-9-8-13(12-15(14)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22) BLIXJOMEXWRBCB-UHFFFAOYSA-N 50279731 8-[4-(2-Diethylaminoethoxy)-3-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL516188 Adenosine receptor A2a Homo sapiens 1100 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279731&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631399 104121448 CHEMBL516188 ZINC40407992 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441343 COc1cc(ccc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(16(13-14)29-3)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23) UDUDPDCSVFAFFL-UHFFFAOYSA-N 50279732 1,3-Dimethyl-8-[3-methoxy-4-(2-piperidin-1-ylethoxy)-phenyl]xanthine::CHEMBL472883 Adenosine receptor A2a Homo sapiens 700 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279732&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631614 104121449 CHEMBL472883 ZINC40900878 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441344 COc1cc(ccc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(15(12-13)28-3)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22) SLGNGDDFVGQQPR-UHFFFAOYSA-N 50279420 1,3-Dimethyl-8-[3-methoxy-4-(2-morpholin-4-ylethoxy)-phenylxanthine::CHEMBL520212 Adenosine receptor A2a Homo sapiens 100000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279420&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631715 104121345 CHEMBL520212 ZINC42878887 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441345 COc1cc(ccc1OCCN1CCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O4/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-6-7-14(15(12-13)28-3)29-11-10-25-8-4-5-9-25/h6-7,12H,4-5,8-11H2,1-3H3,(H,21,22) VUNGHUKQQDSODO-UHFFFAOYSA-N 50279421 1,3-Dimethyl-8-[3-methoxy-4-(2-pyrrolidin-4-ylethoxy)-phenyl]xanthine::CHEMBL486719 Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279421&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631400 104121346 CHEMBL486719 ZINC40421498 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441346 COc1ccc(cc1OCCN(C)C)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C18H23N5O4/c1-21(2)8-9-27-13-10-11(6-7-12(13)26-5)15-19-14-16(20-15)22(3)18(25)23(4)17(14)24/h6-7,10H,8-9H2,1-5H3,(H,19,20) LJHZZECIHXGADH-UHFFFAOYSA-N 50279422 8-[3-(2-Dimethylaminoethoxy)-4-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL486720 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279422&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631719 104121347 CHEMBL486720 ZINC45497910 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441347 CCN(CC)CCOc1cc(ccc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H27N5O4/c1-6-25(7-2)10-11-29-15-12-13(8-9-14(15)28-5)17-21-16-18(22-17)23(3)20(27)24(4)19(16)26/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22) HPJQLBQUFRMPSW-UHFFFAOYSA-N 50279423 8-[3-(2-Diethylaminoethoxy)-4-methoxyphenyl]-1,3-dimethylxanthine::CHEMBL519726 Adenosine receptor A2a Homo sapiens 600 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279423&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631506 104121348 CHEMBL519726 ZINC42888590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441348 COc1ccc(cc1OCCN1CCCCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C21H27N5O4/c1-24-19-17(20(27)25(2)21(24)28)22-18(23-19)14-7-8-15(29-3)16(13-14)30-12-11-26-9-5-4-6-10-26/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23) NTDYXYFTOQZJNU-UHFFFAOYSA-N 50279424 1,3-Dimethyl-8-[4-methoxy-3-(2-piperidin-1-ylethoxy)-phenyl]xanthine::CHEMBL485698 Adenosine receptor A2a Homo sapiens 2700 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279424&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631813 104121349 CHEMBL485698 ZINC40414401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441349 COc1ccc(cc1OCCN1CCOCC1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C20H25N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-4-5-14(28-3)15(12-13)30-11-8-25-6-9-29-10-7-25/h4-5,12H,6-11H2,1-3H3,(H,21,22) OIJSJSOMTZSQNV-UHFFFAOYSA-N 50279444 1,3-Dimethyl-8-[4-methoxy-3-(2-morpholin-4-ylethoxy)-phenylxanthine::CHEMBL520031 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279444&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631507 104121358 CHEMBL520031 ZINC40939143 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441350 CN(C)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C17H21N5O3/c1-20(2)8-9-25-12-7-5-6-11(10-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-7,10H,8-9H2,1-4H3,(H,18,19) FVYQSAAJAMSFPH-UHFFFAOYSA-N 50279445 8-[3-(2-Dimethylaminoethoxy)phenyl]-1,3-dimethylxanthine::CHEMBL488151 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279445&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631609 104121359 CHEMBL488151 ZINC45496111 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441351 CCN(CC)CCOc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C19H25N5O3/c1-5-24(6-2)10-11-27-14-9-7-8-13(12-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-9,12H,5-6,10-11H2,1-4H3,(H,20,21) JLZWWVVRMVULIU-UHFFFAOYSA-N 50279446 8-[3-(2-Diethylaminoethoxy)phenyl]-1,3-dimethylxanthine::CHEMBL488152 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279446&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631818 104121360 CHEMBL488152 ZINC45496113 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441352 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCCC2)c1 InChI=1S/C20H25N5O3/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)14-7-6-8-15(13-14)28-12-11-25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,21,22) ZVUMUCRNXOYIMA-UHFFFAOYSA-N 50279447 1,3-Dimethyl-8-[3-(2-piperidin-4-ylethoxy)phenyl]xanthine::CHEMBL488366 Adenosine receptor A2a Homo sapiens 800 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279447&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631819 104121361 CHEMBL488366 ZINC45495942 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441353 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCOCC2)c1 InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-4-3-5-14(12-13)28-11-8-24-6-9-27-10-7-24/h3-5,12H,6-11H2,1-2H3,(H,20,21) DKGCSVKNSVZVMO-UHFFFAOYSA-N 50279448 1,3-Dimethyl-8-[3-(2-morpholin-4-ylethoxy)-phenyl]xanthine::CHEMBL488367 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279448&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631610 104121362 CHEMBL488367 ZINC40424054 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441354 Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(OCCN2CCCC2)c1 InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-6-5-7-14(12-13)27-11-10-24-8-3-4-9-24/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,21) XQDUFOCVAIJNAY-UHFFFAOYSA-N 50279464 1,3-Dimethyl-8-[3-(2-pyrrolidin-1-ylethoxy)-phenyl]xanthine::CHEMBL486316 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279464&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42631924 104121369 CHEMBL486316 ZINC45484627 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441355 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 130 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50441356 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 64 ChEMBL 10.1016/j.ejmech.2008.10.017 10.7270/Q2S182CW 19036477 Bansal, R; Kumar, G; Gandhi, D; Young, LC; Harvey, AL University Institute of Pharmaceutical Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445919 COc1ccc(CCCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C20H22N6O2/c1-25(11-3-5-14-7-9-15(27-2)10-8-14)17-13-18-22-19(16-6-4-12-28-16)24-26(18)20(21)23-17/h4,6-10,12-13H,3,5,11H2,1-2H3,(H2,21,23) WVJKOONXHGNBES-UHFFFAOYSA-N 50256092 2-(furan-2-yl)-N7-(3-(4-methoxyphenyl)propyl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL471976 Adenosine receptor A2a Homo sapiens 5.7 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256092&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571506 104107738 CHEMBL471976 ZINC40891734 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445920 CN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C18H17FN6O/c1-24(9-8-12-4-6-13(19)7-5-12)15-11-16-21-17(14-3-2-10-26-14)23-25(16)18(20)22-15/h2-7,10-11H,8-9H2,1H3,(H2,20,22) XTCCFIPHLQWJJQ-UHFFFAOYSA-N 50256093 CHEMBL520286::N7-(4-fluorophenethyl)-2-(furan-2-yl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256093&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571507 104107739 CHEMBL520286 ZINC40412861 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445921 CCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C19H19FN6O/c1-2-25(10-9-13-5-7-14(20)8-6-13)16-12-17-22-18(15-4-3-11-27-15)24-26(17)19(21)23-16/h3-8,11-12H,2,9-10H2,1H3,(H2,21,23) ROCACWRRIUHWHQ-UHFFFAOYSA-N 50256094 CHEMBL482161::N7-ethyl-N7-(4-fluorophenethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571508 104107740 CHEMBL482161 ZINC40919285 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445922 COCCN(CCc1ccc(F)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C20H21FN6O2/c1-28-12-10-26(9-8-14-4-6-15(21)7-5-14)17-13-18-23-19(16-3-2-11-29-16)25-27(18)20(22)24-17/h2-7,11,13H,8-10,12H2,1H3,(H2,22,24) DRSVRQWWPXZVHQ-UHFFFAOYSA-N 50255989 CHEMBL519271::N7-(4-fluorophenethyl)-2-(furan-2-yl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255989&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571407 104107647 CHEMBL519271 ZINC40412150 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445923 Nc1nc(OCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 InChI=1S/C21H21F2N7O2/c22-14-3-4-16(15(23)12-14)29-7-5-28(6-8-29)9-11-32-19-13-18-25-20(17-2-1-10-31-17)27-30(18)21(24)26-19/h1-4,10,12-13H,5-9,11H2,(H2,24,26) PCMOYYLIFWTHMQ-UHFFFAOYSA-N 50256145 7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethoxy)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL480397 Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256145&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571550 104107771 CHEMBL480397 ZINC40421065 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445924 COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C24H29N7O4/c1-32-15-16-33-19-6-4-18(5-7-19)30-10-8-29(9-11-30)12-14-35-22-17-21-26-23(20-3-2-13-34-20)28-31(21)24(25)27-22/h2-7,13,17H,8-12,14-16H2,1H3,(H2,25,27) DGVJNXSWZDSPKV-UHFFFAOYSA-N 50256146 2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL480556 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256146&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571551 104107772 CHEMBL480556 ZINC40919219 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445925 Nc1nc(SCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 InChI=1S/C21H21F2N7OS/c22-14-3-4-16(15(23)12-14)29-7-5-28(6-8-29)9-11-32-19-13-18-25-20(17-2-1-10-31-17)27-30(18)21(24)26-19/h1-4,10,12-13H,5-9,11H2,(H2,24,26) LYXDJHZUOCYFAP-UHFFFAOYSA-N 50256147 7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethylthio)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL521242 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256147&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770635 104107773 CHEMBL521242 ZINC40919220 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445926 COCCOc1ccc(cc1)N1CCN(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C24H29N7O3S/c1-32-14-15-33-19-6-4-18(5-7-19)30-10-8-29(9-11-30)12-16-35-22-17-21-26-23(20-3-2-13-34-20)28-31(21)24(25)27-22/h2-7,13,17H,8-12,14-16H2,1H3,(H2,25,27) JAAZMFLAXXMDNB-UHFFFAOYSA-N 50256148 2-(furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL480568 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256148&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770653 104107774 CHEMBL480568 ZINC40410849 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445927 Nc1nc(NCCN2CCN(CC2)c2ccc(F)cc2F)cc2nc(nn12)-c1ccco1 InChI=1S/C21H22F2N8O/c22-14-3-4-16(15(23)12-14)30-9-7-29(8-10-30)6-5-25-18-13-19-27-20(17-2-1-11-32-17)28-31(19)21(24)26-18/h1-4,11-13,25H,5-10H2,(H2,24,26) LFRLPQNSZFWXSR-UHFFFAOYSA-N 50152231 CHEMBL361687::N*7*-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11328135 104040302 CHEMBL361687 ZINC28386582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445928 COCCOc1ccc(cc1)N1CCN(CCNc2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C24H30N8O3/c1-33-15-16-34-19-6-4-18(5-7-19)31-12-10-30(11-13-31)9-8-26-21-17-22-28-23(20-3-2-14-35-20)29-32(22)24(25)27-21/h2-7,14,17,26H,8-13,15-16H2,1H3,(H2,25,27) KQDOPPPFRYWNIG-UHFFFAOYSA-N 50256201 2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL480749 Adenosine receptor A2a Homo sapiens 9.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256201 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256201&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571585 104107803 CHEMBL480749 ZINC40935437 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445929 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C22H24F2N8O/c1-29(6-7-30-8-10-31(11-9-30)17-5-4-15(23)13-16(17)24)19-14-20-26-21(18-3-2-12-33-18)28-32(20)22(25)27-19/h2-5,12-14H,6-11H2,1H3,(H2,25,27) AYDUITGMILRLFK-UHFFFAOYSA-N 50152233 CHEMBL363660::N*7*-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethyl}-2-furan-2-yl-N*7*-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50152233 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50152233&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11476550 104040304 CHEMBL363660 ZINC28383225 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445930 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C25H32N8O3/c1-30(22-18-23-27-24(21-4-3-15-36-21)29-33(23)25(26)28-22)9-10-31-11-13-32(14-12-31)19-5-7-20(8-6-19)35-17-16-34-2/h3-8,15,18H,9-14,16-17H2,1-2H3,(H2,26,28) WFIRIJPVGZUJGN-UHFFFAOYSA-N 50256202 2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL480756 Adenosine receptor A2a Homo sapiens 2.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256202&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23540125 104107804 CHEMBL480756 ZINC40936031 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445931 CCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C23H26F2N8O/c1-2-31(10-7-30-8-11-32(12-9-30)18-6-5-16(24)14-17(18)25)20-15-21-27-22(19-4-3-13-34-19)29-33(21)23(26)28-20/h3-6,13-15H,2,7-12H2,1H3,(H2,26,28) NNNNMFPJHIXPES-UHFFFAOYSA-N 50256298 CHEMBL473431::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-N7-ethyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.9 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256298&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16679348 104107841 CHEMBL473431 ZINC40403461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445932 CCN(CCN1CCN(CC1)c1ccc(OCCOC)cc1)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C26H34N8O3/c1-3-32(23-19-24-28-25(22-5-4-16-37-22)30-34(24)26(27)29-23)13-10-31-11-14-33(15-12-31)20-6-8-21(9-7-20)36-18-17-35-2/h4-9,16,19H,3,10-15,17-18H2,1-2H3,(H2,27,29) KBIMGEJHWYCQBO-UHFFFAOYSA-N 50256299 CHEMBL473439::N7-ethyl-2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571671 104107842 CHEMBL473439 ZINC40914114 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445933 COCCN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1ccco1 InChI=1S/C24H28F2N8O2/c1-35-14-12-33(11-8-31-6-9-32(10-7-31)19-5-4-17(25)15-18(19)26)21-16-22-28-23(20-3-2-13-36-20)30-34(22)24(27)29-21/h2-5,13,15-16H,6-12,14H2,1H3,(H2,27,29) IBTJXZMYRPSUKB-UHFFFAOYSA-N 50256300 CHEMBL514939::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256300&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16679350 104107843 CHEMBL514939 ZINC40914116 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445934 COCCOc1ccc(cc1)N1CCN(CCN(CCOC)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C27H36N8O4/c1-36-17-15-34(24-20-25-29-26(23-4-3-16-39-23)31-35(25)27(28)30-24)14-11-32-9-12-33(13-10-32)21-5-7-22(8-6-21)38-19-18-37-2/h3-8,16,20H,9-15,17-19H2,1-2H3,(H2,28,30) YZQMIVUZSCWMIB-UHFFFAOYSA-N 50256301 2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL473440 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571672 104107844 CHEMBL473440 ZINC44417973 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445935 Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1 InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30) UUUUCFGJWJWDEN-UHFFFAOYSA-N 50256362 CHEMBL470942::N7-(cyclopropylmethyl)-N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256362&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16679349 104107873 CHEMBL470942 ZINC40891679 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445936 COCCOc1ccc(cc1)N1CCN(CCN(CC2CC2)c2cc3nc(nn3c(N)n2)-c2ccco2)CC1 InChI=1S/C28H36N8O3/c1-37-17-18-38-23-8-6-22(7-9-23)34-13-10-33(11-14-34)12-15-35(20-21-4-5-21)25-19-26-30-27(24-3-2-16-39-24)32-36(26)28(29)31-25/h2-3,6-9,16,19,21H,4-5,10-15,17-18,20H2,1H3,(H2,29,31) DKTSTJQGCYJNIY-UHFFFAOYSA-N 50256363 CHEMBL512337::N7-(cyclopropylmethyl)-2-(furan-2-yl)-N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256363&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571722 104107874 CHEMBL512337 ZINC40891680 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445937 COCCOc1ccc(cc1)N1CCN(CCOc2cc3nc(nn3c(N)n2)-c2ccc(Cl)o2)CC1 InChI=1S/C24H28ClN7O4/c1-33-14-15-34-18-4-2-17(3-5-18)31-10-8-30(9-11-31)12-13-35-22-16-21-27-23(19-6-7-20(25)36-19)29-32(21)24(26)28-22/h2-7,16H,8-15H2,1H3,(H2,26,28) KJQHWCLBOHLQRT-UHFFFAOYSA-N 50256364 2-(5-chlorofuran-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL475592 Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256364&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23540126 104107875 CHEMBL475592 ZINC40900281 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445938 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccccc2)CC1 InChI=1S/C27H34N8O2/c1-32(24-20-25-29-26(21-6-4-3-5-7-21)31-35(25)27(28)30-24)12-13-33-14-16-34(17-15-33)22-8-10-23(11-9-22)37-19-18-36-2/h3-11,20H,12-19H2,1-2H3,(H2,28,30) FSXLVZDXMKYYFE-UHFFFAOYSA-N 50256416 CHEMBL482328::N7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-N7-methyl-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23540131 104107905 CHEMBL482328 ZINC40934348 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445939 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cccc(c1)C#N InChI=1S/C25H25F2N9/c1-33(7-8-34-9-11-35(12-10-34)21-6-5-19(26)14-20(21)27)22-15-23-30-24(32-36(23)25(29)31-22)18-4-2-3-17(13-18)16-28/h2-6,13-15H,7-12H2,1H3,(H2,29,31) ZPTQAAHWOAPCNM-UHFFFAOYSA-N 50256417 3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile::CHEMBL482329 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256417&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770622 104107906 CHEMBL482329 ZINC40934349 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445940 COCCOc1ccc(cc1)N1CCN(CCN(C)c2cc3nc(nn3c(N)n2)-c2cccc(c2)C#N)CC1 InChI=1S/C28H33N9O2/c1-34(10-11-35-12-14-36(15-13-35)23-6-8-24(9-7-23)39-17-16-38-2)25-19-26-31-27(33-37(26)28(30)32-25)22-5-3-4-21(18-22)20-29/h3-9,18-19H,10-17H2,1-2H3,(H2,30,32) CALAGWXXGJLXKE-UHFFFAOYSA-N 50256418 3-(5-amino-7-((2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile::CHEMBL480380 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256418&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 23540117 104107907 CHEMBL480380 ZINC40935403 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445941 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cnco1 InChI=1S/C21H23F2N9O/c1-29(4-5-30-6-8-31(9-7-30)16-3-2-14(22)10-15(16)23)18-11-19-26-20(17-12-25-13-33-17)28-32(19)21(24)27-18/h2-3,10-13H,4-9H2,1H3,(H2,24,27) IOXYCIDLLJVUPF-UHFFFAOYSA-N 50256419 CHEMBL480542::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-N7-methyl-2-(oxazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256419&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571767 104107908 CHEMBL480542 ZINC40935418 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445942 CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1nccnc1C InChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30) KNLVCUBRKZFOEV-UHFFFAOYSA-N 50256492 CHEMBL480570::N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-N7-methyl-2-(3-methylpyrazin-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine Adenosine receptor A2a Homo sapiens 0.3 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256492&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571835 104107956 CHEMBL480570 ZINC40933972 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445943 COc1ccc(CCOc2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C18H17N5O3/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21) XDSYJFDIMNNMSV-UHFFFAOYSA-N 50255990 2-(furan-2-yl)-7-(4-methoxyphenethoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL481737 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255990&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770654 104107648 CHEMBL481737 ZINC40936792 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445944 COc1ccc(CCNc2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C18H18N6O2/c1-25-13-6-4-12(5-7-13)8-9-20-15-11-16-22-17(14-3-2-10-26-14)23-24(16)18(19)21-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21) ZEOUTVYYOAHJLX-UHFFFAOYSA-N 50255991 2-(furan-2-yl)-N7-(4-methoxyphenethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL520766 Adenosine receptor A2a Homo sapiens 5.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255991&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770658 104107649 CHEMBL520766 ZINC40936378 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445945 COc1ccc(CCN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C19H20N6O2/c1-24(10-9-13-5-7-14(26-2)8-6-13)16-12-17-21-18(15-4-3-11-27-15)23-25(17)19(20)22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,20,22) RBQYAFLPTGRBET-UHFFFAOYSA-N 50255992 2-(furan-2-yl)-N7-(4-methoxyphenethyl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL481736 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255992&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571408 104107650 CHEMBL481736 ZINC40936789 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445946 COc1ccc(CCSc2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C18H17N5O2S/c1-24-13-6-4-12(5-7-13)8-10-26-16-11-15-20-17(14-3-2-9-25-14)22-23(15)18(19)21-16/h2-7,9,11H,8,10H2,1H3,(H2,19,21) ZXCVHJXQJJLILE-UHFFFAOYSA-N 50256019 2-(furan-2-yl)-7-(4-methoxyphenethylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL475445 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256019&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 20770655 104107676 CHEMBL475445 ZINC40405237 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445947 COc1ccc(CCCc2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21) BPYGIENYELRRQQ-UHFFFAOYSA-N 50256090 2-(furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine::CHEMBL471974 Adenosine receptor A2a Homo sapiens 11.5 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10193594 104107736 CHEMBL471974 ZINC40394922 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50445948 COc1ccc(CN(C)c2cc3nc(nn3c(N)n2)-c2ccco2)cc1 InChI=1S/C18H18N6O2/c1-23(11-12-5-7-13(25-2)8-6-12)15-10-16-20-17(14-4-3-9-26-14)22-24(16)18(19)21-15/h3-10H,11H2,1-2H3,(H2,19,21) YXQPLYXKTAAKSE-UHFFFAOYSA-N 50256091 2-(furan-2-yl)-N7-(4-methoxybenzyl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine::CHEMBL471975 Adenosine receptor A2a Homo sapiens 46 ChEMBL 10.1016/j.bmcl.2008.11.075 10.7270/Q2CC10KT 19109019 Neustadt, BR; Liu, H; Hao, J; Greenlee, WJ; Stamford, AW; Foster, C; Arik, L; Lachowicz, J; Zhang, H; Bertorelli, R; Fredduzzi, S; Varty, G; Cohen-Williams, M; Ng, K Schering-Plough Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50256091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50256091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44571505 104107737 CHEMBL471975 ZINC40891733 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443936 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1 InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22) JLPAUIGRIPHUJC-UHFFFAOYSA-N 50254400 3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL442670 Adenosine receptor A2a Homo sapiens 11.9 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254400&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874538 104106630 CHEMBL442670 ZINC40828500 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443937 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1 InChI=1S/C16H12N8O/c17-16-19-13(12-2-1-5-25-12)14-15(20-16)24(23-22-14)8-9-3-4-11-10(6-9)7-18-21-11/h1-7H,8H2,(H,18,21)(H2,17,19,20) YDOSDBSTLFYMFG-UHFFFAOYSA-N 50254399 7-(2-Furyl)-3-(5-indazolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL512812 Adenosine receptor A2a Homo sapiens 8.6 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254399&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874662 104106629 CHEMBL512812 ZINC40875311 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443938 Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 InChI=1S/C17H13N7O/c18-17-20-14(13-2-1-7-25-13)15-16(21-17)24(23-22-15)9-10-3-4-12-11(8-10)5-6-19-12/h1-8,19H,9H2,(H2,18,20,21) XLVPNYUXEMZIGX-UHFFFAOYSA-N 50254398 7-(2-Furyl)-3-(5-indolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL468256 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254398&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874675 104106628 CHEMBL468256 ZINC40875052 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443939 CC(=O)Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C17H15N7O2/c1-10(25)19-12-6-4-11(5-7-12)9-24-16-15(22-23-24)14(20-17(18)21-16)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,19,25)(H2,18,20,21) VLWKYZXFURDCFE-UHFFFAOYSA-N 50254357 CHEMBL511413::N-(4-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)phenyl)acetamide Adenosine receptor A2a Homo sapiens 116 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254357&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874764 104106598 CHEMBL511413 ZINC40876781 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443940 CNc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C16H15N7O/c1-18-11-6-4-10(5-7-11)9-23-15-14(21-22-23)13(19-16(17)20-15)12-3-2-8-24-12/h2-8,18H,9H2,1H3,(H2,17,19,20) TZOOGRJBPCSUNY-UHFFFAOYSA-N 50254356 7-(2-Furyl)-3-(4-(N-methylamino)benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL510134 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254356&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874681 104106597 CHEMBL510134 ZINC40380043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443941 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(O)c3)c2n1 InChI=1S/C15H13N7O2/c16-9-4-3-8(6-10(9)23)7-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-5-24-11/h1-6,23H,7,16H2,(H2,17,18,19) QTWZRFYFVZATOS-UHFFFAOYSA-N 50254355 3-(4-Amino-3-hydroxybenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516770 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254355&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874641 104106596 CHEMBL516770 ZINC40863349 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443942 CC(C)c1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C18H19N7O/c1-10(2)12-8-11(5-6-13(12)19)9-25-17-16(23-24-25)15(21-18(20)22-17)14-4-3-7-26-14/h3-8,10H,9,19H2,1-2H3,(H2,20,21,22) OXXOYGRTPFHQAA-UHFFFAOYSA-N 50254354 3-(4-Amino-3-isopropylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL459322 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254354&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874613 104106595 CHEMBL459322 ZINC40863018 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443943 CCc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C17H17N7O/c1-2-11-8-10(5-6-12(11)18)9-24-16-15(22-23-24)14(20-17(19)21-16)13-4-3-7-25-13/h3-8H,2,9,18H2,1H3,(H2,19,20,21) MPVLIBBHCAVTJX-UHFFFAOYSA-N 50254353 3-(4-Amino-3-ethylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL518364 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254353&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874756 104106594 CHEMBL518364 ZINC40392854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443944 Cc1cc(Cn2nnc3c(nc(N)nc23)-c2ccco2)ccc1N InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) HQSBCDPYXDGTCL-UHFFFAOYSA-N 50254013 3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL447664 Adenosine receptor A2a Homo sapiens 1.3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254013&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9XT 5OLH 21874557 104106404 CHEMBL447664 ZINC40863182 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443945 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1 InChI=1S/C15H12FN7O/c16-9-6-8(3-4-10(9)17)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7,17H2,(H2,18,19,20) HQQSMDYDRILQNC-UHFFFAOYSA-N 50254012 3-(4-Amino-3-fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517886 Adenosine receptor A2a Homo sapiens 0.7 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254012&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874661 104106403 CHEMBL517886 ZINC40864161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443946 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c(F)c1 InChI=1S/C15H12FN7O/c16-10-6-9(17)4-3-8(10)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7,17H2,(H2,18,19,20) YSVWVOXTRYQTHL-UHFFFAOYSA-N 50254011 3-(4-Amino-2-fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516800 Adenosine receptor A2a Homo sapiens 3.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254011&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874571 104106402 CHEMBL516800 ZINC40860687 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443947 NCc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C16H15N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,8-9,17H2,(H2,18,19,20) OCXRYSQGQKZANZ-UHFFFAOYSA-N 50254010 3-(4-Aminomethylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460976 Adenosine receptor A2a Homo sapiens 241 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254010 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254010&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874722 104106401 CHEMBL460976 ZINC40860685 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443948 Nc1ccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)cc1 InChI=1S/C15H13N7O/c16-10-5-3-9(4-6-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-2-1-7-23-11/h1-7H,8,16H2,(H2,17,18,19) PLFGEAYNLHZLDP-UHFFFAOYSA-N 50254009 3-(4-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460975 Adenosine receptor A2a Homo sapiens 1.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254009 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254009&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874686 104106400 CHEMBL460975 ZINC40379794 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443949 Nc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C15H13N7O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8,16H2,(H2,17,18,19) YHYOCBNJVOUOHL-UHFFFAOYSA-N 50254008 3-(3-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461008 Adenosine receptor A2a Homo sapiens 2.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254008 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254008&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901171 104106399 CHEMBL461008 ZINC34019480 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443950 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3N)c2n1 InChI=1S/C15H13N7O/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8,16H2,(H2,17,18,19) PEIDZPBLLQLXTN-UHFFFAOYSA-N 50253995 3-(2-Aminobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516483 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253995&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9857735 104106388 CHEMBL516483 ZINC40393158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443951 Nc1nc(-c2ccco2)c2nnn(Cc3ccsc3)c2n1 InChI=1S/C13H10N6OS/c14-13-15-10(9-2-1-4-20-9)11-12(16-13)19(18-17-11)6-8-3-5-21-7-8/h1-5,7H,6H2,(H2,14,15,16) CPCWPQDPUNDLNA-UHFFFAOYSA-N 50253994 7-(2-Furyl)-3-(3-thienylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL506101 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253994&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9857422 104106387 CHEMBL506101 ZINC40845055 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443952 Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1 InChI=1S/C13H10N6OS/c14-13-15-10(9-4-1-5-20-9)11-12(16-13)19(18-17-11)7-8-3-2-6-21-8/h1-6H,7H2,(H2,14,15,16) URQCXSCOCFANSO-UHFFFAOYSA-N 50253993 7-(2-Furyl)-3-(2-thienylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL460799 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253993&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874782 104106386 CHEMBL460799 ZINC40863158 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443953 Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1 InChI=1S/C13H10N6O2/c14-13-15-10(9-4-2-6-21-9)11-12(16-13)19(18-17-11)7-8-3-1-5-20-8/h1-6H,7H2,(H2,14,15,16) OVDWDWNLTFDKGD-UHFFFAOYSA-N 50253992 7-(2-Furyl)-3-(2-furylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461650 Adenosine receptor A2a Homo sapiens 8.8 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253992 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253992&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874668 104106385 CHEMBL461650 ZINC40393217 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443954 Nc1nc(-c2ccco2)c2nnn(Cc3cnccn3)c2n1 InChI=1S/C13H10N8O/c14-13-17-10(9-2-1-5-22-9)11-12(18-13)21(20-19-11)7-8-6-15-3-4-16-8/h1-6H,7H2,(H2,14,17,18) FRFPRBCBRLNPQZ-UHFFFAOYSA-N 50253991 7-(2-Furyl)-3-(2-pyrazinylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517277 Adenosine receptor A2a Homo sapiens 122 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253991&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874634 104106384 CHEMBL517277 ZINC40873410 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443955 Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1 InChI=1S/C14H11N7O/c15-14-17-11(10-4-2-6-22-10)12-13(18-14)21(20-19-12)8-9-3-1-5-16-7-9/h1-7H,8H2,(H2,15,17,18) QFWCQCHUXCNVBH-UHFFFAOYSA-N 50254352 7-(2-Furyl)-3-(3-pyridylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL449596 Adenosine receptor A2a Homo sapiens 14.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254352&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874687 104106593 CHEMBL449596 ZINC40379816 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443956 Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1 InChI=1S/C14H11N7O/c15-14-17-11(10-5-3-7-22-10)12-13(18-14)21(20-19-12)8-9-4-1-2-6-16-9/h1-7H,8H2,(H2,15,17,18) CYASBWJYIBROFE-UHFFFAOYSA-N 50254351 7-(2-Furyl)-3-(2-pyridylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL462501 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254351&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9857266 104106592 CHEMBL462501 ZINC40866854 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443957 CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23) AMKCCWCEGZXQCR-UHFFFAOYSA-N 50254350 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropyl-N-methylbenzamide::CHEMBL460805 Adenosine receptor A2a Homo sapiens 22 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254350&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874520 104106591 CHEMBL460805 ZINC40393412 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443958 CC(C)NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C19H19N7O2/c1-11(2)21-18(27)13-6-3-5-12(9-13)10-26-17-16(24-25-26)15(22-19(20)23-17)14-7-4-8-28-14/h3-9,11H,10H2,1-2H3,(H,21,27)(H2,20,22,23) GZOISEYFUNQIGG-UHFFFAOYSA-N 50254349 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropylbenzamide::CHEMBL460596 Adenosine receptor A2a Homo sapiens 10.8 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254349&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874602 104106590 CHEMBL460596 ZINC40865680 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443959 NC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H13N7O2/c17-14(24)10-4-1-3-9(7-10)8-23-15-13(21-22-23)12(19-16(18)20-15)11-5-2-6-25-11/h1-7H,8H2,(H2,17,24)(H2,18,19,20) OJEKDWVTJNQVRR-UHFFFAOYSA-N 50254348 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)benzamide::CHEMBL518178 Adenosine receptor A2a Homo sapiens 11.1 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254348&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874626 104106589 CHEMBL518178 ZINC40393666 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443960 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(O)=O)c2n1 InChI=1S/C16H12N6O3/c17-16-18-12(11-5-2-6-25-11)13-14(19-16)22(21-20-13)8-9-3-1-4-10(7-9)15(23)24/h1-7H,8H2,(H,23,24)(H2,17,18,19) ZAHCXPSOPNDRKR-UHFFFAOYSA-N 50254305 3-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzoic acid::3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)benzoic Acid::CHEMBL461656 Adenosine receptor A2a Homo sapiens 832 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254305&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874755 104106561 CHEMBL461656 ZINC40873834 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443961 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(O)c3)c2n1 InChI=1S/C15H12N6O2/c16-15-17-12(11-5-2-6-23-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(22)7-9/h1-7,22H,8H2,(H2,16,17,18) ZTSVWGOTWQCWTQ-UHFFFAOYSA-N 50254304 7-(2-Furyl)-3-(3-hydroxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL506511 Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254304&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901196 104106560 CHEMBL506511 ZINC34019512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443962 COC(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C17H14N6O3/c1-25-16(24)11-5-2-4-10(8-11)9-23-15-14(21-22-23)13(19-17(18)20-15)12-6-3-7-26-12/h2-8H,9H2,1H3,(H2,18,19,20) VKZMSCRFHJJXBA-UHFFFAOYSA-N 50254303 CHEMBL517429::Methyl 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methylbenzoate Adenosine receptor A2a Homo sapiens 4.1 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254303&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9968253 104106559 CHEMBL517429 ZINC34054493 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443963 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-2-1-7-25-11)13-14(18-15)21(20-19-13)8-9-3-5-10(6-4-9)22(23)24/h1-7H,8H2,(H2,16,17,18) VDEXMQKDCJCISX-UHFFFAOYSA-N 50254302 7-(2-Furyl)-3-(4-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL505977 Adenosine receptor A2a Homo sapiens 28 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254302&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874692 104106558 CHEMBL505977 ZINC40379276 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443964 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-5-2-6-25-11)13-14(18-15)21(20-19-13)8-9-3-1-4-10(7-9)22(23)24/h1-7H,8H2,(H2,16,17,18) MOGTYIPADGVXJV-UHFFFAOYSA-N 50254301 7-(2-Furyl)-3-(3-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL508451 Adenosine receptor A2a Homo sapiens 3.7 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254301&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9967620 104106557 CHEMBL508451 ZINC34053752 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443965 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3[N+]([O-])=O)c2n1 InChI=1S/C15H11N7O3/c16-15-17-12(11-6-3-7-25-11)13-14(18-15)21(20-19-13)8-9-4-1-2-5-10(9)22(23)24/h1-7H,8H2,(H2,16,17,18) RPESVFFSTNXZGQ-UHFFFAOYSA-N 50254007 7-(2-Furyl)-3-(2-nitrobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517418 Adenosine receptor A2a Homo sapiens 6.6 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254007 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254007&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9880921 104106398 CHEMBL517418 ZINC34006007 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443966 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(cc3)C#N)c2n1 InChI=1S/C16H11N7O/c17-8-10-3-5-11(6-4-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-2-1-7-24-12/h1-7H,9H2,(H2,18,19,20) WIHSJLOSNYAKOB-UHFFFAOYSA-N 50254006 3-(4-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::4-((5-amino-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)methyl)benzonitrile::CHEMBL461007 Adenosine receptor A2a Homo sapiens 73 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254006&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10267860 104106397 CHEMBL461007 ZINC38441143 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443967 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C#N)c2n1 InChI=1S/C16H11N7O/c17-8-10-3-1-4-11(7-10)9-23-15-14(21-22-23)13(19-16(18)20-15)12-5-2-6-24-12/h1-7H,9H2,(H2,18,19,20) LMKCBJGIOMTJNM-UHFFFAOYSA-N 50254005 3-(3-Cyanobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517417 Adenosine receptor A2a Homo sapiens 3.9 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254005&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901497 104106396 CHEMBL517417 ZINC34019886 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443968 COc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H14N6O2/c1-23-11-5-2-4-10(8-11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-24-12/h2-8H,9H2,1H3,(H2,17,18,19) AOXADOPTSUIEGJ-UHFFFAOYSA-N 50254004 7-(2-Furyl)-3-(3-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL518497 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254004&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901700 104106395 CHEMBL518497 ZINC34020136 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443969 COc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C16H14N6O2/c1-23-11-6-3-2-5-10(11)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-24-12/h2-8H,9H2,1H3,(H2,17,18,19) BBLIPTCQCVIILX-UHFFFAOYSA-N 50254003 7-(2-Furyl)-3-(2-methoxybenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL443665 Adenosine receptor A2a Homo sapiens 5.4 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254003&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874581 104106394 CHEMBL443665 ZINC40979236 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443970 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(c3)C(F)(F)F)c2n1 InChI=1S/C16H11F3N6O/c17-16(18,19)10-4-1-3-9(7-10)8-25-14-13(23-24-25)12(21-15(20)22-14)11-5-2-6-26-11/h1-7H,8H2,(H2,20,21,22) UXIUTMGDEVKDJT-UHFFFAOYSA-N 50253990 7-(2-Furyl)-3-(3-trifluoromethylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461649 Adenosine receptor A2a Homo sapiens 2.2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253990 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253990&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10155413 104106383 CHEMBL461649 ZINC34336620 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443971 Cc1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1 InChI=1S/C16H14N6O/c1-10-4-2-5-11(8-10)9-22-15-14(20-21-22)13(18-16(17)19-15)12-6-3-7-23-12/h2-8H,9H2,1H3,(H2,17,18,19) WCUNHKUZDFUTSU-UHFFFAOYSA-N 50253989 7-(2-Furyl)-3-(3-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461651 Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253989 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253989&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9857698 104106382 CHEMBL461651 ZINC40873412 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443972 Cc1ccccc1Cn1nnc2c(nc(N)nc12)-c1ccco1 InChI=1S/C16H14N6O/c1-10-5-2-3-6-11(10)9-22-15-14(20-21-22)13(18-16(17)19-15)12-7-4-8-23-12/h2-8H,9H2,1H3,(H2,17,18,19) ZEXBXLMNEHIVEJ-UHFFFAOYSA-N 50253988 7-(2-Furyl)-3-(2-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL516611 Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253988 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253988&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874786 104106381 CHEMBL516611 ZINC40861745 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443973 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 InChI=1S/C15H11ClN6O/c16-10-4-1-3-9(7-10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-5-2-6-23-11/h1-7H,8H2,(H2,17,18,19) JIVWIVUKEAZKOR-UHFFFAOYSA-N 50253987 3-(3-Chlorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL462488 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253987 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253987&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9945226 104106380 CHEMBL462488 ZINC34042110 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443974 Nc1nc(-c2ccco2)c2nnn(Cc3c(F)cccc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-3-1-4-10(17)8(9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-5-2-6-24-11/h1-6H,7H2,(H2,18,19,20) KORPBNVHOKHHID-UHFFFAOYSA-N 50254300 3-(2,6-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467246 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254300&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874697 104106556 CHEMBL467246 ZINC40891514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443975 Nc1nc(-c2ccco2)c2nnn(Cc3cc(F)ccc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-3-4-10(17)8(6-9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7H2,(H2,18,19,20) HIKPTKYPQANVTC-UHFFFAOYSA-N 50254299 3-(2,5-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467245 Adenosine receptor A2a Homo sapiens 2.2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254299&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874721 104106555 CHEMBL467245 ZINC40891513 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443976 Nc1nc(-c2ccco2)c2nnn(Cc3ccc(F)cc3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-4-3-8(10(17)6-9)7-23-14-13(21-22-23)12(19-15(18)20-14)11-2-1-5-24-11/h1-6H,7H2,(H2,18,19,20) MIHQHTZJUYIODA-UHFFFAOYSA-N 50254298 3-(2,4-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL513661 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254298&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874676 104106554 CHEMBL513661 ZINC40395621 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443977 Nc1nc(-c2ccco2)c2nnn(Cc3cccc(F)c3F)c2n1 InChI=1S/C15H10F2N6O/c16-9-4-1-3-8(11(9)17)7-23-14-13(21-22-23)12(19-15(18)20-14)10-5-2-6-24-10/h1-6H,7H2,(H2,18,19,20) HSZNXQGHVGSJAP-UHFFFAOYSA-N 50254297 3-(2,3-Difluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467244 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254297&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874603 104106553 CHEMBL467244 ZINC40891512 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443978 Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1 InChI=1S/C15H18N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,16,17,18) WFNUCTUSPKUZKF-UHFFFAOYSA-N 50254296 3-Cyclohexylmethyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467035 Adenosine receptor A2a Homo sapiens 8.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254296&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874771 104106552 CHEMBL467035 ZINC40401759 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443979 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3)c2n1 InChI=1S/C15H12N6O/c16-15-17-12(11-7-4-8-22-11)13-14(18-15)21(20-19-13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17,18) OSSDIBDBSUPBAU-UHFFFAOYSA-N 50254295 3-Benzyl-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL507426 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254295&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874685 104106551 CHEMBL507426 ZINC40980668 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443980 Nc1nc(-c2cncs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7S/c15-9-4-2-1-3-8(9)6-22-13-12(20-21-22)11(18-14(16)19-13)10-5-17-7-23-10/h1-5,7H,6H2,(H2,16,18,19) VVFOTYRTTIHHKA-UHFFFAOYSA-N 50254267 3-(2-Fluorobenzyl)-7-(5-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467867 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254267 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254267&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9858577 104106538 CHEMBL467867 ZINC33993507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443981 Nc1nc(-c2c[nH]nn2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C13H10FN9/c14-8-4-2-1-3-7(8)6-23-12-11(20-22-23)10(17-13(15)18-12)9-5-16-21-19-9/h1-5H,6H2,(H2,15,17,18)(H,16,19,21) WCWZDKZUOSZJPV-UHFFFAOYSA-N 50254266 3-(2-Fluorobenzyl)-7-(5-triazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL467655 Adenosine receptor A2a Homo sapiens 400 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254266 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254266&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874639 104106537 CHEMBL467655 ZINC40877183 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443982 Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C15H11FN6S/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8H2,(H2,17,18,19) VFOPMEYYKVBQQE-UHFFFAOYSA-N 50254265 3-(2-Fluorobenzyl)-7-(2-thienyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL511405 Adenosine receptor A2a Homo sapiens 8.2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254265&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9880392 104106536 CHEMBL511405 ZINC34005381 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443983 Nc1nc(-c2ncco2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7O/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19) YKXAXNRPKPCUCH-UHFFFAOYSA-N 50254264 3-(2-Fluorobenzyl)-7-(2-oxazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::3-(2-fluorobenzyl)-7-(oxazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine::CHEMBL468701 Adenosine receptor A2a Homo sapiens 41 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254264&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25188209 104106535 CHEMBL468701 ZINC40401945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443984 Cc1cnc(s1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C15H12FN7S/c1-8-6-18-14(24-8)12-11-13(20-15(17)19-12)23(22-21-11)7-9-4-2-3-5-10(9)16/h2-6H,7H2,1H3,(H2,17,19,20) QAYSCRQTQREBQP-UHFFFAOYSA-N 50254263 3-(2-Fluorobenzyl)-7-(5-methyl-2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL449469 Adenosine receptor A2a Homo sapiens 8.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254263&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9902562 104106534 CHEMBL449469 ZINC34021159 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443985 Cc1csc(n1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C15H12FN7S/c1-8-7-24-14(18-8)12-11-13(20-15(17)19-12)23(22-21-11)6-9-4-2-3-5-10(9)16/h2-5,7H,6H2,1H3,(H2,17,19,20) UQZBEXRWKGGPGI-UHFFFAOYSA-N 50254262 3-(2-Fluorobenzyl)-7-(4-methyl-2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL505787 Adenosine receptor A2a Homo sapiens 2.2 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254262&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9902563 104106533 CHEMBL505787 ZINC34021160 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443986 Nc1nc(-c2nccs2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H10FN7S/c15-9-4-2-1-3-8(9)7-22-12-10(20-21-22)11(18-14(16)19-12)13-17-5-6-23-13/h1-6H,7H2,(H2,16,18,19) IZQQVCLSEFCBFN-UHFFFAOYSA-N 50254002 3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL508558 Adenosine receptor A2a Homo sapiens 8.5 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254002&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9858578 104106393 CHEMBL508558 ZINC33993508 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443987 Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C14H11FN8/c15-9-4-2-1-3-8(9)7-23-13-12(21-22-23)11(18-14(16)19-13)10-5-6-17-20-10/h1-6H,7H2,(H,17,20)(H2,16,18,19) GOWVUTAYJUJMJP-UHFFFAOYSA-N 50254001 3-(2-Fluorobenzyl)-7-(1H-pyrazol-3-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461858 Adenosine receptor A2a Homo sapiens 239 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254001&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9836304 104106392 CHEMBL461858 ZINC33977787 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443988 Cc1ccc(o1)-c1nc(N)nc2n(Cc3ccccc3F)nnc12 InChI=1S/C16H13FN6O/c1-9-6-7-12(24-9)13-14-15(20-16(18)19-13)23(22-21-14)8-10-4-2-3-5-11(10)17/h2-7H,8H2,1H3,(H2,18,19,20) ZTAHTOOYAQNJRV-UHFFFAOYSA-N 50254000 3-(2-Fluorobenzyl)-7-(5-methyl-2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL461857 Adenosine receptor A2a Homo sapiens 2.1 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254000&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21874647 104106391 CHEMBL461857 ZINC40872804 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443989 Nc1nc(-c2ccco2)c2nnn(Cc3ccccc3F)c2n1 InChI=1S/C15H11FN6O/c16-10-5-2-1-4-9(10)8-22-14-13(20-21-22)12(18-15(17)19-14)11-6-3-7-23-11/h1-7H,8H2,(H2,17,18,19) BNLXLVWITDZVIM-UHFFFAOYSA-N 50253999 3-(2-Fluorobenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL517278 Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253999&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9901260 104106390 CHEMBL517278 ZINC34019585 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443990 Nc1nc(-c2ccco2)c2[nH]nnc2n1 InChI=1S/C8H6N6O/c9-8-10-5(4-2-1-3-15-4)6-7(11-8)13-14-12-6/h1-3H,(H3,9,10,11,12,13,14) WNLHTRPMOARHIH-UHFFFAOYSA-N 50253998 7-(2-Furyl)-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine::CHEMBL459312 Adenosine receptor A2a Homo sapiens 194 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50253998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50253998&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9834242 104106389 CHEMBL459312 ZINC33975418 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443991 Nc1nc(-c2ccco2)c2cc[nH]c2n1 InChI=1S/C10H8N4O/c11-10-13-8(7-2-1-5-15-7)6-3-4-12-9(6)14-10/h1-5H,(H3,11,12,13,14) YOPVCNSOKMOXST-UHFFFAOYSA-N 50239028 4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine::CHEMBL406499 Adenosine receptor A2a Homo sapiens 242 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 21976428 104056499 CHEMBL406499 ZINC00003636 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443992 Nc1nc(-c2ccco2)c2[nH]cnc2n1 InChI=1S/C9H7N5O/c10-9-13-6(5-2-1-3-15-5)7-8(14-9)12-4-11-7/h1-4H,(H3,10,11,12,13,14) JZSMPSCWNAYWOI-UHFFFAOYSA-N 50239041 6-(furan-2-yl)-9H-purin-2-amine::CHEMBL404447 Adenosine receptor A2a Homo sapiens 261 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239041&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9834240 104056501 CHEMBL404447 ZINC29046264 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443993 Nc1nc(-c2ccco2)c2c[nH]nc2n1 InChI=1S/C9H7N5O/c10-9-12-7(6-2-1-3-15-6)5-4-11-14-8(5)13-9/h1-4H,(H3,10,11,12,13,14) YRICNFHNUJTOMF-UHFFFAOYSA-N 50239026 4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine::CHEMBL260557 Adenosine receptor A2a Homo sapiens 48 ChEMBL 10.1021/jm800961g 10.7270/Q2XG9R0B 19072055 Gillespie, RJ; Bamford, SJ; Botting, R; Comer, M; Denny, S; Gaur, S; Griffin, M; Jordan, AM; Knight, AR; Lerpiniere, J; Leonardi, S; Lightowler, S; McAteer, S; Merrett, A; Misra, A; Padfield, A; Reece, M; Saadi, M; Selwood, DL; Stratton, GC; Surry, D; Todd, R; Tong, X; Ruston, V; Upton, R; Weiss, SM Vernalis R&D Ltd http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 22015500 104056498 CHEMBL260557 ZINC29047358 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436668 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C14H13N3O2/c1-16-11-8-10(9-6-4-3-5-7-9)15-12(11)13(18)17(2)14(16)19/h3-8,15H,1-2H3 HBWLTYRKABSIQR-UHFFFAOYSA-N 50041591 1,3-Dimethyl-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL38528 Adenosine receptor A2a Homo sapiens 479 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041591&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12267225 103973290 CHEMBL38528 ZINC12405591 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436669 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C14H13N3O3/c1-16-11-10(13(19)17(2)14(16)20)15-9(12(11)18)8-6-4-3-5-7-8/h3-7,15,18H,1-2H3 JYLPPQVMEIEYRY-UHFFFAOYSA-N 50273802 7-hydroxy-1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL512216::cid_750351 Adenosine receptor A2a Homo sapiens 1470 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273802&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 750351 104117809 CHEMBL512216 ZINC00198826 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436670 Cc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 InChI=1S/C15H15N3O2/c1-9-4-6-10(7-5-9)11-8-12-13(16-11)14(19)18(3)15(20)17(12)2/h4-8,16H,1-3H3 BBFPHHUPBWYLHO-UHFFFAOYSA-N 50273800 1,3-dimethyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL462095 Adenosine receptor A2a Homo sapiens 126 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273800&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12267228 104117807 CHEMBL462095 ZINC40874081 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436671 Cc1ccc(cc1)-c1[nH]c2c(c1O)n(C)c(=O)n(C)c2=O InChI=1S/C15H15N3O3/c1-8-4-6-9(7-5-8)10-13(19)12-11(16-10)14(20)18(3)15(21)17(12)2/h4-7,16,19H,1-3H3 OEJGMOSOPQXTQZ-UHFFFAOYSA-N 50273804 7-hydroxy-1,3-dimethyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL512388 Adenosine receptor A2a Homo sapiens 2450 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 12351799 104117811 CHEMBL512388 ZINC39212810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436672 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C15H15N3O5S/c1-17-12-11(14(20)18(2)15(17)21)16-10(13(12)19)8-4-6-9(7-5-8)24(3,22)23/h4-7,16,19H,1-3H3 BAABOJCRZGIFMQ-UHFFFAOYSA-N 50273837 7-hydroxy-1,3-dimethyl-6-(4-(methylsulfonyl)phenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL459553 Adenosine receptor A2a Homo sapiens 692 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273837&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588393 104117830 CHEMBL459553 ZINC40864019 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436673 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C18H21N3O2/c1-3-10-20-15-12-14(13-8-6-5-7-9-13)19-16(15)17(22)21(11-4-2)18(20)23/h5-9,12,19H,3-4,10-11H2,1-2H3 UBJAFKSHHKGNMT-UHFFFAOYSA-N 50041584 6-Phenyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL289413 Adenosine receptor A2a Homo sapiens 646 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50041584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50041584&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9995603 103973283 CHEMBL289413 ZINC12405594 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436674 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C18H21N3O3/c1-3-10-20-15-14(17(23)21(11-4-2)18(20)24)19-13(16(15)22)12-8-6-5-7-9-12/h5-9,19,22H,3-4,10-11H2,1-2H3 WMMQZUWLDBUPNK-UHFFFAOYSA-N 50273839 7-hydroxy-6-phenyl-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL516154 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273839&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588395 104117832 CHEMBL516154 ZINC40847649 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436675 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C)cc1 InChI=1S/C19H23N3O2/c1-4-10-21-16-12-15(14-8-6-13(3)7-9-14)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3 IGLCQZYYKLFMKH-UHFFFAOYSA-N 50273840 1,3-dipropyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457442 Adenosine receptor A2a Homo sapiens 631 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273840&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11267343 104117833 CHEMBL457442 ZINC40847651 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436676 CCCn1c2cc(-c3ccc(C)cc3)n(O)c2c(=O)n(CCC)c1=O InChI=1S/C19H23N3O3/c1-4-10-20-16-12-15(14-8-6-13(3)7-9-14)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3 RDEZSVZHKUMXND-UHFFFAOYSA-N 50273841 5-hydroxy-1,3-dipropyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457659 Adenosine receptor A2a Homo sapiens 398 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273841&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588396 104117834 CHEMBL457659 ZINC40379783 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436677 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(C)cc1 InChI=1S/C19H23N3O3/c1-4-10-21-16-15(18(24)22(11-5-2)19(21)25)20-14(17(16)23)13-8-6-12(3)7-9-13/h6-9,20,23H,4-5,10-11H2,1-3H3 BNELMEAZEDYOSZ-UHFFFAOYSA-N 50273874 7-hydroxy-1,3-dipropyl-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL455985 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273874 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273874&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588436 104117856 CHEMBL455985 ZINC40380602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436678 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 InChI=1S/C18H22N4O2/c1-3-9-21-15-11-14(12-5-7-13(19)8-6-12)20-16(15)17(23)22(10-4-2)18(21)24/h5-8,11,20H,3-4,9-10,19H2,1-2H3 RMSSXSBXRYYMDR-UHFFFAOYSA-N 50273875 6-(4-aminophenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL455986 Adenosine receptor A2a Homo sapiens 162 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273875 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273875&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11313397 104117857 CHEMBL455986 ZINC40380550 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436679 CCCn1c2cc(-c3ccc(N)cc3)n(O)c2c(=O)n(CCC)c1=O InChI=1S/C18H22N4O3/c1-3-9-20-15-11-14(12-5-7-13(19)8-6-12)22(25)16(15)17(23)21(10-4-2)18(20)24/h5-8,11,25H,3-4,9-10,19H2,1-2H3 FWQLXYWLYBRNKT-UHFFFAOYSA-N 50273876 6-(4-Amino-phenyl)-5-hydroxy-1,3-dipropyl-1H-pyrrolo-[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457880 Adenosine receptor A2a Homo sapiens 240 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273876 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273876&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588437 104117858 CHEMBL457880 ZINC40848313 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436695 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1 InChI=1S/C18H22N4O3/c1-3-9-21-15-14(17(24)22(10-4-2)18(21)25)20-13(16(15)23)11-5-7-12(19)8-6-11/h5-8,20,23H,3-4,9-10,19H2,1-2H3 CONRYLOMRLYYJO-UHFFFAOYSA-N 50273877 6-(4-Amino-phenyl)-7-hydroxy-1,3-dipropyl-1H-pyrrolo-[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL510409 Adenosine receptor A2a Homo sapiens 166 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273877&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588438 104117859 CHEMBL510409 ZINC40380236 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436696 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 InChI=1S/C18H21N3O3/c1-3-9-20-15-11-14(12-5-7-13(22)8-6-12)19-16(15)17(23)21(10-4-2)18(20)24/h5-8,11,19,22H,3-4,9-10H2,1-2H3 XWRHBZNLOGEVRQ-UHFFFAOYSA-N 50273878 6-(4-hydroxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457881 Adenosine receptor A2a Homo sapiens 48 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273878&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588439 104117860 CHEMBL457881 ZINC40379957 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436697 CCCn1c2cc(-c3ccc(O)cc3)n(O)c2c(=O)n(CCC)c1=O InChI=1S/C18H21N3O4/c1-3-9-19-15-11-14(12-5-7-13(22)8-6-12)21(25)16(15)17(23)20(10-4-2)18(19)24/h5-8,11,22,25H,3-4,9-10H2,1-2H3 ZJZZCFUGJJVKFL-UHFFFAOYSA-N 50273905 5-hydroxy-6-(4-hydroxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL455998 Adenosine receptor A2a Homo sapiens 102 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273905&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588470 104117872 CHEMBL455998 ZINC40847276 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436698 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1 InChI=1S/C18H21N3O4/c1-3-9-20-15-14(17(24)21(10-4-2)18(20)25)19-13(16(15)23)11-5-7-12(22)8-6-11/h5-8,19,22-23H,3-4,9-10H2,1-2H3 GIJJQIHNYYXMID-UHFFFAOYSA-N 50273906 6-(4-Hydroxy-phenyl)-7-hydroxy-1,3-dipropyl-1Hpyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL455999 Adenosine receptor A2a Homo sapiens 118 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273906&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588471 104117873 CHEMBL455999 ZINC40380386 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436699 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 InChI=1S/C19H23N3O3/c1-4-10-21-16-12-15(13-6-8-14(25-3)9-7-13)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3 SERGQABLLZFSEN-UHFFFAOYSA-N 50273907 6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL449133 Adenosine receptor A2a Homo sapiens 199 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273907&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588472 104117874 CHEMBL449133 ZINC40829377 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436700 CCCn1c2cc(-c3ccc(OC)cc3)n(O)c2c(=O)n(CCC)c1=O InChI=1S/C19H23N3O4/c1-4-10-20-16-12-15(13-6-8-14(26-3)9-7-13)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3 QPSOLTWXZHKGRP-UHFFFAOYSA-N 50273908 5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457209 Adenosine receptor A2a Homo sapiens 631 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273908&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588473 104117875 CHEMBL457209 ZINC40848161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436701 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 InChI=1S/C19H23N3O4/c1-4-10-21-16-15(18(24)22(11-5-2)19(21)25)20-14(17(16)23)12-6-8-13(26-3)9-7-12/h6-9,20,23H,4-5,10-11H2,1-3H3 XSRGCPIJIJNURP-UHFFFAOYSA-N 50273909 7-hydroxy-6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457418 Adenosine receptor A2a Homo sapiens 148 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273909&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588474 104117876 CHEMBL457418 ZINC40860423 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436702 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(C)=O InChI=1S/C20H23N3O4/c1-4-10-22-17-16(19(26)23(11-5-2)20(22)27)21-15(18(17)25)14-8-6-13(7-9-14)12(3)24/h6-9,21,25H,4-5,10-11H2,1-3H3 VZTHCZZPPWXYJE-UHFFFAOYSA-N 50273954 6-(4-acetylphenyl)-7-hydroxy-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL456816 Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273954&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588514 104117911 CHEMBL456816 ZINC40848024 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436703 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)[N+]([O-])=O InChI=1S/C18H20N4O5/c1-3-9-20-15-14(17(24)21(10-4-2)18(20)25)19-13(16(15)23)11-5-7-12(8-6-11)22(26)27/h5-8,19,23H,3-4,9-10H2,1-2H3 AFHXIAFLVQWNGJ-UHFFFAOYSA-N 50273955 7-hydroxy-6-(4-nitrophenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457014 Adenosine receptor A2a Homo sapiens 145 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273955&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588515 104117912 CHEMBL457014 ZINC40846612 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436704 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C19H23N3O5S/c1-4-10-21-16-15(18(24)22(11-5-2)19(21)25)20-14(17(16)23)12-6-8-13(9-7-12)28(3,26)27/h6-9,20,23H,4-5,10-11H2,1-3H3 SIHIKPJYUGIIGL-UHFFFAOYSA-N 50273956 7-hydroxy-6-(4-(methylsulfonyl)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL507754 Adenosine receptor A2a Homo sapiens 28 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273956&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588516 104117913 CHEMBL507754 ZINC40845408 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436705 CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O InChI=1S/C17H19N3O5S/c1-4-9-20-16(22)13-14(19(2)17(20)23)15(21)12(18-13)10-5-7-11(8-6-10)26(3,24)25/h5-8,18,21H,4,9H2,1-3H3 KUPQOGCWMSZCTA-UHFFFAOYSA-N 50273957 7-hydroxy-1-methyl-6-(4-(methylsulfonyl)phenyl)-3-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL457015 Adenosine receptor A2a Homo sapiens 468 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273957&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588517 104117914 CHEMBL457015 ZINC40846614 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436706 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccco1 InChI=1S/C16H19N3O4/c1-3-7-18-13-12(15(21)19(8-4-2)16(18)22)17-11(14(13)20)10-6-5-9-23-10/h5-6,9,17,20H,3-4,7-8H2,1-2H3 IEMVGGNVOHLMQP-UHFFFAOYSA-N 50273958 6-(furan-2-yl)-7-hydroxy-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL454700 Adenosine receptor A2a Homo sapiens 104 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273958&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44588518 104117915 CHEMBL454700 ZINC40846465 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436707 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O InChI=1S/C19H21N3O5/c1-3-9-21-15-14(17(24)22(10-4-2)19(21)27)20-13(16(15)23)11-5-7-12(8-6-11)18(25)26/h5-8,20,23H,3-4,9-10H2,1-2H3,(H,25,26) UIZNDBWZKQAOFG-UHFFFAOYSA-N 50273309 4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzoic acid::CHEMBL455315 Adenosine receptor A2a Homo sapiens 933 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44587954 104117472 CHEMBL455315 ZINC40380066 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436708 CCCn1c2c(OS(O)(=O)=O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccco1 InChI=1S/C16H19N3O7S/c1-3-7-18-13-12(15(20)19(8-4-2)16(18)21)17-11(10-6-5-9-25-10)14(13)26-27(22,23)24/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,22,23,24) OFVGDJVBVLQLLD-UHFFFAOYSA-N 50273310 6-(2-Furyl)-2,4dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl hydrogen sulfate::CHEMBL508090 Adenosine receptor A2a Homo sapiens 408 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273310&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44587955 104117473 CHEMBL508090 C02000 ZINC40848000 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436709 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C26H27BrN4O5/c1-3-13-30-23-22(25(34)31(14-4-2)26(30)35)29-21(24(23)33)16-5-11-19(12-6-16)36-15-20(32)28-18-9-7-17(27)8-10-18/h5-12,29,33H,3-4,13-15H2,1-2H3,(H,28,32) IDZLUCZVCCNUTR-UHFFFAOYSA-N 50273311 CHEMBL456125::N-(4-bromophenyl)-2-(4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273311&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44587956 104117474 CHEMBL456125 ZINC44352668 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436710 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 InChI=1S/C26H27BrN4O4/c1-3-13-30-22-15-21(29-24(22)25(33)31(14-4-2)26(30)34)17-5-11-20(12-6-17)35-16-23(32)28-19-9-7-18(27)8-10-19/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,32) FQGGIJIQRRXFOZ-UHFFFAOYSA-N 50240999 CHEMBL201145::N-(4-bromophenyl)-2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240999&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11649544 104098542 CHEMBL201145 ZINC28567491 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436711 CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C31H37N5O5/c1-3-14-35-28-27(30(39)36(15-4-2)31(35)40)32-26(29(28)38)23-10-12-24(13-11-23)41-21-25(37)34-18-16-33(17-19-34)20-22-8-6-5-7-9-22/h5-13,32,38H,3-4,14-21H2,1-2H3 REAPVGFCEFRXCU-UHFFFAOYSA-N 50273312 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-7-hydroxy-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL506179 Adenosine receptor A2a Homo sapiens 92 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50273312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50273312&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44587957 104117475 CHEMBL506179 ZINC42835118 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50436712 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 InChI=1S/C31H37N5O4/c1-3-14-35-27-20-26(32-29(27)30(38)36(15-4-2)31(35)39)24-10-12-25(13-11-24)40-22-28(37)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-13,20,32H,3-4,14-19,21-22H2,1-2H3 GOZZQPGHJOJDJZ-UHFFFAOYSA-N 50241444 6-(4-(2-(4-benzylpiperazin-1-yl)-2-oxoethoxy)phenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::6-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl}-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::CHEMBL409514 Adenosine receptor A2a Homo sapiens 257 ChEMBL 10.1016/j.bmc.2008.09.067 10.7270/Q21Z448B 18938084 Stefanachi, A; Nicolotti, O; Leonetti, F; Cellamare, S; Campagna, F; Loza, MI; Brea, JM; Mazza, F; Gavuzzo, E; Carotti, A Università degli Studi di Bari http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241444&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44450983 104098772 CHEMBL409514 ZINC29058129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439695 Cc1cccc(c1)-n1cc2c(n1)c(NC(=O)c1ccccc1)nc1ccccc21 InChI=1S/C24H18N4O/c1-16-8-7-11-18(14-16)28-15-20-19-12-5-6-13-21(19)25-23(22(20)27-28)26-24(29)17-9-3-2-4-10-17/h2-15H,1H3,(H,25,26,29) OJHDOIIUJLKKAH-UHFFFAOYSA-N 50218919 CHEMBL242424::N-(2-m-tolyl-2H-pyrazolo[3,4-c]quinolin-4-yl)benzamide Adenosine receptor A2a Homo sapiens 2680 ChEMBL 10.1016/j.bmc.2008.10.018 10.7270/Q21N810X 18996701 Colotta, V; Capelli, F; Lenzi, O; Catarzi, D; Varano, F; Poli, D; Vincenzi, F; Varani, K; Borea, PA; Dal Ben, D; Volpini, R; Cristalli, G; Filacchioni, G Università di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50218919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50218919&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44427585 104092378 CHEMBL242424 ZINC28710896 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435729 CN1CC[C@@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)/t18-/m0/s1 KNRXPSXSKMZADD-SFHVURJKSA-N 50275963 (S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide::CHEMBL511440 Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275963&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25110630 104119318 CHEMBL511440 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435730 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1 InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26) QMZAMLTVEASZQQ-UHFFFAOYSA-N 21172 CHEMBL251975::N-[2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 1 Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21172&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11956193 49689245 CHEMBL251975 ZINC23360505 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435732 CC(=O)Nc1cc(nc(n1)-c1ccco1)-n1cccn1 InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19) YBZHQFAVAQZLFB-UHFFFAOYSA-N 50232154 CHEMBL401321::N-(2-(furan-2-yl)-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide::N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide Adenosine receptor A2a Homo sapiens 0.6 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50232154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50232154&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11380183 104055428 CHEMBL401321 ZINC28966064 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435733 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1 InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28) QHUIIOCQAIOLJY-UHFFFAOYSA-N 21182 CHEMBL270761::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 34 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21182&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24768407 49689255 CHEMBL270761 ZINC23360531 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435739 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1 InChI=1S/C17H17N5O/c1-11-9-12(2)22(21-11)17-19-15(14-7-5-4-6-8-14)10-16(20-17)18-13(3)23/h4-10H,1-3H3,(H,18,19,20,23) OPNAWTWHKNBYIX-UHFFFAOYSA-N 26231 CHEMBL487765::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6a Adenosine receptor A2a Homo sapiens 87 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26231&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138072 56464668 CHEMBL487765 ZINC44305425 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435740 COc1ccccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-15(10-17(21-18)19-13(3)24)14-7-5-6-8-16(14)25-4/h5-10H,1-4H3,(H,19,20,21,24) IHZJCEYKGHNJAV-UHFFFAOYSA-N 50275660 CHEMBL488797::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275660&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589759 104119067 CHEMBL488797 ZINC45497866 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435741 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H19N5O2/c1-11-8-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-6-5-7-15(9-14)25-4/h5-10H,1-4H3,(H,19,20,21,24) QTJDEJXKPAATAY-UHFFFAOYSA-N 26234 CHEMBL486950::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6d Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26234 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26234&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138075 56464671 CHEMBL486950 ZINC42878321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435742 COc1ccc(cc1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H19N5O2/c1-11-9-12(2)23(22-11)18-20-16(10-17(21-18)19-13(3)24)14-5-7-15(25-4)8-6-14/h5-10H,1-4H3,(H,19,20,21,24) LKMYUFHSXMTCQP-UHFFFAOYSA-N 50275693 CHEMBL486338::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 17 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275693 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275693&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589796 104119091 CHEMBL486338 ZINC45495221 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435743 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(C)c1 InChI=1S/C18H19N5O/c1-11-6-5-7-15(8-11)16-10-17(19-14(4)24)21-18(20-16)23-13(3)9-12(2)22-23/h5-10H,1-4H3,(H,19,20,21,24) XVIGYFVDOGOBDS-UHFFFAOYSA-N 50275694 CHEMBL486339::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-m-tolylpyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 7 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275694 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275694&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589797 104119092 CHEMBL486339 ZINC45484645 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435744 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C#N InChI=1S/C18H16N6O/c1-11-7-12(2)24(23-11)18-21-16(9-17(22-18)20-13(3)25)15-6-4-5-14(8-15)10-19/h4-9H,1-3H3,(H,20,21,22,25) RLYMKXCOCBLPDC-UHFFFAOYSA-N 50275695 CHEMBL506129::N-(6-(3-cyanophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275695 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275695&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589798 104119093 CHEMBL506129 ZINC40979214 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435745 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(CC#N)c1 InChI=1S/C19H18N6O/c1-12-9-13(2)25(24-12)19-22-17(11-18(23-19)21-14(3)26)16-6-4-5-15(10-16)7-8-20/h4-6,9-11H,7H2,1-3H3,(H,21,22,23,26) AWHOPARFCRBVBE-UHFFFAOYSA-N 50275696 CHEMBL486552::N-(6-(3-(cyanomethyl)phenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275696 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275696&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589799 104119094 CHEMBL486552 ZINC40424051 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435746 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(c1)C(F)(F)F InChI=1S/C18H16F3N5O/c1-10-7-11(2)26(25-10)17-23-15(9-16(24-17)22-12(3)27)13-5-4-6-14(8-13)18(19,20)21/h4-9H,1-3H3,(H,22,23,24,27) QLYCOMFUURXRFD-UHFFFAOYSA-N 50275742 CHEMBL504812::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275742&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589833 104119135 CHEMBL504812 ZINC40980923 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435747 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)cc(C)c1 InChI=1S/C19H21N5O/c1-11-6-12(2)8-16(7-11)17-10-18(20-15(5)25)22-19(21-17)24-14(4)9-13(3)23-24/h6-10H,1-5H3,(H,20,21,22,25) MTHGBVNUWKGCGT-UHFFFAOYSA-N 50275743 CHEMBL486351::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3,5-dimethylphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 8 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275743&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589834 104119136 CHEMBL486351 ZINC40421576 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435748 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(C)ccc1C InChI=1S/C19H21N5O/c1-11-6-7-12(2)16(8-11)17-10-18(20-15(5)25)22-19(21-17)24-14(4)9-13(3)23-24/h6-10H,1-5H3,(H,20,21,22,25) LRMUCWKZKPFGOQ-UHFFFAOYSA-N 50275744 CHEMBL519554::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2,5-dimethylphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 19 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275744&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589835 104119137 CHEMBL519554 ZINC42878604 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435749 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25) XGFRRYAZOMJDQL-UHFFFAOYSA-N 26236 CHEMBL487569::N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6f Adenosine receptor A2a Homo sapiens 0.2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26236 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26236&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138077 56464673 CHEMBL487569 ZINC40422762 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435750 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(O)cc(F)c1 InChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24) CRBWMXJQGWUCTP-UHFFFAOYSA-N 50275745 CHEMBL519566::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275745&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589836 104119138 CHEMBL519566 ZINC40421974 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435751 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(F)cc(F)c1 InChI=1S/C17H15F2N5O/c1-9-4-10(2)24(23-9)17-21-15(8-16(22-17)20-11(3)25)12-5-13(18)7-14(19)6-12/h4-8H,1-3H3,(H,20,21,22,25) DTINJFMWAIYFRA-UHFFFAOYSA-N 50275799 CHEMBL513203::N-(6-(3,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275799&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589887 104119184 CHEMBL513203 ZINC40894027 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435752 COc1c(F)cccc1-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H18FN5O2/c1-10-8-11(2)24(23-10)18-21-15(9-16(22-18)20-12(3)25)13-6-5-7-14(19)17(13)26-4/h5-9H,1-4H3,(H,20,21,22,25) TWKAKKMODJNAHL-UHFFFAOYSA-N 50275800 CHEMBL469962::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-2-methoxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275800&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589888 104119185 CHEMBL469962 ZINC40894030 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435753 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(O)c1 InChI=1S/C17H17N5O2/c1-10-7-11(2)22(21-10)17-19-15(9-16(20-17)18-12(3)23)13-5-4-6-14(24)8-13/h4-9,24H,1-3H3,(H,18,19,20,23) RBRREHKGVIAYOX-UHFFFAOYSA-N 50275801 CHEMBL469963::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275801&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589889 104119186 CHEMBL469963 ZINC40401224 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435754 CN(C)CCOc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C21H26N6O2/c1-14-11-15(2)27(25-14)21-23-19(13-20(24-21)22-16(3)28)17-7-6-8-18(12-17)29-10-9-26(4)5/h6-8,11-13H,9-10H2,1-5H3,(H,22,23,24,28) QDJLUTOVYOOCPC-UHFFFAOYSA-N 50275802 CHEMBL469964::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 5 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275802&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589890 104119187 CHEMBL469964 ZINC40894493 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435755 CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29) KWXCLKIPZNZLAX-UHFFFAOYSA-N 50275803 CHEMBL469324::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275803&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589891 104119188 CHEMBL469324 ZINC40395404 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435756 CCN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C23H28N6O2/c1-5-28-10-9-20(14-28)31-19-8-6-7-18(12-19)21-13-22(24-17(4)30)26-23(25-21)29-16(3)11-15(2)27-29/h6-8,11-13,20H,5,9-10,14H2,1-4H3,(H,24,25,26,30) QKABAKISDAYKRP-UHFFFAOYSA-N 50275856 CHEMBL471853::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-ethylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275856&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589942 104119231 CHEMBL471853 ZINC40895521 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435757 CC(C)N1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C24H30N6O2/c1-15(2)29-10-9-21(14-29)32-20-8-6-7-19(12-20)22-13-23(25-18(5)31)27-24(26-22)30-17(4)11-16(3)28-30/h6-8,11-13,15,21H,9-10,14H2,1-5H3,(H,25,26,27,31) UAVPYOCGCXNBPX-UHFFFAOYSA-N 50275857 CHEMBL472063::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-isopropylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 3 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275857&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589943 104119232 CHEMBL472063 ZINC40894312 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435758 CN1CCC(CC1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C23H28N6O2/c1-15-12-16(2)29(27-15)23-25-21(14-22(26-23)24-17(3)30)18-6-5-7-20(13-18)31-19-8-10-28(4)11-9-19/h5-7,12-14,19H,8-11H2,1-4H3,(H,24,25,26,30) SUAVPMVHEWSQAQ-UHFFFAOYSA-N 50275858 CHEMBL511159::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpiperidin-4-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275858&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589944 104119233 CHEMBL511159 ZINC40891882 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435759 CN1CCCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30) UUVIEOWDBDXRFC-UHFFFAOYSA-N 50275859 CHEMBL472026::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpiperidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275859&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589945 104119234 CHEMBL472026 ZINC40402509 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435760 CN1CC[C@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)/t19-/m1/s1 KWXCLKIPZNZLAX-LJQANCHMSA-N 50275912 (R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide::CHEMBL470146 Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275912&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589994 104119277 CHEMBL470146 ZINC40395404 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435761 CN1CC[C@@H](C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)/t19-/m0/s1 KWXCLKIPZNZLAX-IBGZPJMESA-N 50275913 (S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide::CHEMBL511624 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275913&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589995 104119278 CHEMBL511624 ZINC40394635 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435762 CN1CC[C@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C23H28N6O2/c1-15-10-16(2)29(27-15)23-25-21(12-22(26-23)24-17(3)30)19-7-5-6-18(11-19)14-31-20-8-9-28(4)13-20/h5-7,10-12,20H,8-9,13-14H2,1-4H3,(H,24,25,26,30)/t20-/m1/s1 HQGPRKKHKJMXJP-HXUWFJFHSA-N 50275914 (R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-((1-methylpyrrolidin-3-yloxy)methyl)phenyl)pyrimidin-4-yl)acetamide::CHEMBL511118 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275914&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589996 104119279 CHEMBL511118 ZINC40894959 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435763 CN1CC[C@@H](C1)OCc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C23H28N6O2/c1-15-10-16(2)29(27-15)23-25-21(12-22(26-23)24-17(3)30)19-7-5-6-18(11-19)14-31-20-8-9-28(4)13-20/h5-7,10-12,20H,8-9,13-14H2,1-4H3,(H,24,25,26,30)/t20-/m0/s1 HQGPRKKHKJMXJP-FQEVSTJZSA-N 50275915 (S)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-((1-methylpyrrolidin-3-yloxy)methyl)phenyl)pyrimidin-4-yl)acetamide::CHEMBL470355 Adenosine receptor A2a Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275915&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44589997 104119280 CHEMBL470355 ZINC40894962 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435764 CN1CCC(C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30) KNRXPSXSKMZADD-UHFFFAOYSA-N 50275961 CHEMBL472460::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 1 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275961&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590096 104119316 CHEMBL472460 ZINC40896184 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50435765 CN1CC[C@H](C1)Oc1cc(F)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C22H25FN6O2/c1-13-7-14(2)29(27-13)22-25-20(11-21(26-22)24-15(3)30)16-8-17(23)10-19(9-16)31-18-5-6-28(4)12-18/h7-11,18H,5-6,12H2,1-4H3,(H,24,25,26,30)/t18-/m1/s1 KNRXPSXSKMZADD-GOSISDBHSA-N 50275962 (R)-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-fluoro-5-(1-methylpyrrolidin-3-yloxy)phenyl)pyrimidin-4-yl)acetamide::CHEMBL469520 Adenosine receptor A2a Homo sapiens 2 ChEMBL 10.1016/j.bmcl.2008.09.048 10.7270/Q28K78ZG 18835161 Moorjani, M; Luo, Z; Lin, E; Vong, BG; Chen, Y; Zhang, X; Rueter, JK; Gross, RS; Lanier, MC; Tellew, JE; Williams, JP; Lechner, SM; Malany, S; Santos, M; Crespo, MI; Diaz, JL; Saunders, J; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50275962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50275962&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590097 104119317 CHEMBL469520 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439912 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)C(C)n3c2c1=O InChI=1S/C20H22N4O2/c1-4-10-22-19(25)17-18(21-16-11-13(2)14(3)24(16)17)23(20(22)26)12-15-8-6-5-7-9-15/h5-9,11,14H,4,10,12H2,1-3H3 VDRIWCZLIFRTAN-UHFFFAOYSA-N 50170142 1-Benzyl-6,7-dimethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193130 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170142&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11360082 104056606 CHEMBL193130 ZINC13648047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439913 CCCn1c2nc3[nH]c(cn3c2c(=O)n(CCC)c1=O)-c1ccccc1 InChI=1S/C19H21N5O2/c1-3-10-22-16-15(17(25)23(11-4-2)19(22)26)24-12-14(20-18(24)21-16)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) FTVPXIKSAVTJOH-UHFFFAOYSA-N 50254973 1,3-Dipropyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL526122 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254973&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11494063 104107051 CHEMBL526122 ZINC40976075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439914 CC(C)Cn1c2nc3[nH]c(cn3c2c(=O)n(CC(C)C)c1=O)-c1ccccc1 InChI=1S/C21H25N5O2/c1-13(2)10-25-18-17(19(27)26(21(25)28)11-14(3)4)24-12-16(22-20(24)23-18)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,22,23) ZMSOKXUTNKJYQK-UHFFFAOYSA-N 50254974 1,3-Diisobutyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL520767 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254974&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11717832 104107052 CHEMBL520767 ZINC34641325 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439915 Cn1c2nc3[nH]c(cn3c2c(=O)n(C)c1=O)-c1ccccc1 InChI=1S/C15H13N5O2/c1-18-12-11(13(21)19(2)15(18)22)20-8-10(16-14(20)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17) UKMQTJFZUOZSRV-UHFFFAOYSA-N 50254975 1,3-Dimethyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL480599 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254975&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 906099 104107053 CHEMBL480599 ZINC00487740 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439916 Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)[nH]1 InChI=1S/C10H11N5O2/c1-5-4-15-6-7(12-9(15)11-5)13(2)10(17)14(3)8(6)16/h4H,1-3H3,(H,11,12) UCRWKJWWUYKFAC-UHFFFAOYSA-N 50254976 1,3,7-Trimethyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL480529 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254976&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3162667 104107054 CHEMBL480529 ZINC04314093 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439917 CCCn1c(=O)n(Cc2ccncc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,20) QWRPCYWJGMVFAO-UHFFFAOYSA-N 50254854 7-methyl-3-propyl-1-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL454444 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254854&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570367 104106967 CHEMBL454444 ZINC40847197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439918 CCCn1c(=O)n(Cc2cccnc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-7-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-5-4-6-18-8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,19,20) WWYGZOMPIIJQPI-UHFFFAOYSA-N 50254855 7-methyl-3-propyl-1-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL465089 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254855&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570369 104106968 CHEMBL465089 ZINC40873620 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439919 CCCn1c(=O)n(Cc2ccccn2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C17H18N6O2/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-6-4-5-7-18-12/h4-7,9H,3,8,10H2,1-2H3,(H,19,20) RWZAZBZOMBDEGU-UHFFFAOYSA-N 50254856 7-methyl-3-propyl-1-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride::CHEMBL465090 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254856&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25147619 104106969 CHEMBL465090 ZINC40393218 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448655 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O InChI=1S/C23H23N5O3/c1-30-18-8-5-7-17(12-18)28-21-19(13-24-22(26-21)25-16-10-11-16)27(23(28)29)14-15-6-3-4-9-20(15)31-2/h3-9,12-13,16H,10-11,14H2,1-2H3,(H,24,25,26) AQEXTJMLDIXPHI-UHFFFAOYSA-N 50248262 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL475146 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248262 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248262&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564881 104102955 CHEMBL475146 ZINC40404197 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448656 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2OC)c1=O InChI=1S/C23H23N5O3/c1-30-19-9-5-3-7-15(19)14-27-18-13-24-22(25-16-11-12-16)26-21(18)28(23(27)29)17-8-4-6-10-20(17)31-2/h3-10,13,16H,11-12,14H2,1-2H3,(H,24,25,26) PHUGVOFIFNJFOY-UHFFFAOYSA-N 50248263 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(2-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL516235 Adenosine receptor A2a Homo sapiens 1561 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248263 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248263&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564882 104102956 CHEMBL516235 ZINC40404221 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448657 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O InChI=1S/C22H21N5O2/c1-29-19-10-6-5-7-15(19)14-26-18-13-23-21(24-16-11-12-16)25-20(18)27(22(26)28)17-8-3-2-4-9-17/h2-10,13,16H,11-12,14H2,1H3,(H,23,24,25) QLZMJSSRSSLWQS-UHFFFAOYSA-N 50248264 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-phenyl-7H-purin-8(9H)-one::CHEMBL475147 Adenosine receptor A2a Homo sapiens 409 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248264 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248264&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564883 104102957 CHEMBL475147 ZINC40898217 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448658 COc1cc(OC)cc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2OC)c1=O InChI=1S/C24H25N5O4/c1-31-18-10-17(11-19(12-18)32-2)29-22-20(13-25-23(27-22)26-16-8-9-16)28(24(29)30)14-15-6-4-5-7-21(15)33-3/h4-7,10-13,16H,8-9,14H2,1-3H3,(H,25,26,27) RRWHVBZACLTBHL-UHFFFAOYSA-N 50248265 2-(cyclopropylamino)-9-(3,5-dimethoxyphenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL515877 Adenosine receptor A2a Homo sapiens 76 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248265 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248265&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16064568 104102958 CHEMBL515877 ZINC34983632 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448659 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26) QKENJSZXIDEZOZ-UHFFFAOYSA-N 50248317 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL474747 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248317 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248317&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564926 104102998 CHEMBL474747 ZINC40901161 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448660 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(C)c2)c1=O InChI=1S/C23H23N5O2/c1-15-6-5-8-18(12-15)28-21-19(13-24-22(26-21)25-17-10-11-17)27(23(28)29)14-16-7-3-4-9-20(16)30-2/h3-9,12-13,17H,10-11,14H2,1-2H3,(H,24,25,26) NFNDSYDEZWGWHU-UHFFFAOYSA-N 50248318 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-m-tolyl-7H-purin-8(9H)-one::CHEMBL472951 Adenosine receptor A2a Homo sapiens 316 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248318 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248318&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564927 104102999 CHEMBL472951 ZINC40914075 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448661 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(OC(F)(F)F)c2)c1=O InChI=1S/C23H20F3N5O3/c1-33-19-8-3-2-5-14(19)13-30-18-12-27-21(28-15-9-10-15)29-20(18)31(22(30)32)16-6-4-7-17(11-16)34-23(24,25)26/h2-8,11-12,15H,9-10,13H2,1H3,(H,27,28,29) OTFTWNAYKJBJDD-UHFFFAOYSA-N 50248319 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-(trifluoromethoxy)phenyl)-7H-purin-8(9H)-one::CHEMBL515088 Adenosine receptor A2a Homo sapiens 206 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248319 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248319&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16064570 104103000 CHEMBL515088 ZINC34983636 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448662 COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(c2)C#N)c1=O InChI=1S/C23H20N6O2/c1-31-20-8-3-2-6-16(20)14-28-19-13-25-22(26-17-9-10-17)27-21(19)29(23(28)30)18-7-4-5-15(11-18)12-24/h2-8,11,13,17H,9-10,14H2,1H3,(H,25,26,27) FJOFZPIYAYYCHF-UHFFFAOYSA-N 50248320 3-(2-(cyclopropylamino)-7-(2-methoxybenzyl)-8-oxo-7H-purin-9(8H)-yl)benzonitrile::CHEMBL472952 Adenosine receptor A2a Homo sapiens 2587 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248320 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248320&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564928 104103001 CHEMBL472952 ZINC40914387 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448663 COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1 InChI=1S/C24H25N5O3/c1-31-19-8-5-6-16(12-19)14-29-22-20(13-25-23(27-22)26-18-10-11-18)28(24(29)30)15-17-7-3-4-9-21(17)32-2/h3-9,12-13,18H,10-11,14-15H2,1-2H3,(H,25,26,27) SWMYSPAKTVHYON-UHFFFAOYSA-N 50248378 2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL523465 Adenosine receptor A2a Homo sapiens 9213 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248378&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564978 104103041 CHEMBL523465 ZINC40423012 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448664 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2)c1=O InChI=1S/C22H21N5O2/c1-29-18-9-5-8-17(12-18)27-20-19(13-23-21(25-20)24-16-10-11-16)26(22(27)28)14-15-6-3-2-4-7-15/h2-9,12-13,16H,10-11,14H2,1H3,(H,23,24,25) OPVBKOIUVGIMIB-UHFFFAOYSA-N 50248379 7-benzyl-2-(cyclopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL490723 Adenosine receptor A2a Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248379&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564979 104103042 CHEMBL490723 ZINC40949309 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448665 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2F)c1=O InChI=1S/C22H20FN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) CFVOANGXCJDVRN-UHFFFAOYSA-N 50248380 2-(cyclopropylamino)-7-(2-fluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL521742 Adenosine receptor A2a Homo sapiens 33 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248380&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564980 104103043 CHEMBL521742 ZINC42878999 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448666 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2ccccc2Cl)c1=O InChI=1S/C22H20ClN5O2/c1-30-17-7-4-6-16(11-17)28-20-19(12-24-21(26-20)25-15-9-10-15)27(22(28)29)13-14-5-2-3-8-18(14)23/h2-8,11-12,15H,9-10,13H2,1H3,(H,24,25,26) XOAHRUXRHCAEGD-UHFFFAOYSA-N 50248381 7-(2-chlorobenzyl)-2-(cyclopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489120 Adenosine receptor A2a Homo sapiens 86 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564981 104103044 CHEMBL489120 ZINC40422974 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448667 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C22H19F2N5O2/c1-31-15-5-2-4-14(10-15)29-20-19(11-25-21(27-20)26-13-8-9-13)28(22(29)30)12-16-17(23)6-3-7-18(16)24/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,26,27) DJEOUFPKQANXEL-UHFFFAOYSA-N 50248433 2-(cyclopropylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489126 Adenosine receptor A2a Homo sapiens 4 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248433&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16064248 104103088 CHEMBL489126 ZINC34983100 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448668 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(Cc2c(F)cccc2OC)c1=O InChI=1S/C23H22FN5O3/c1-31-16-6-3-5-15(11-16)29-21-19(12-25-22(27-21)26-14-9-10-14)28(23(29)30)13-17-18(24)7-4-8-20(17)32-2/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,26,27) QCPZDWSHEPNHDV-UHFFFAOYSA-N 50248434 2-(cyclopropylamino)-7-(2-fluoro-6-methoxybenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL489321 Adenosine receptor A2a Homo sapiens 6 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248434&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565032 104103089 CHEMBL489321 ZINC45496368 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448669 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(C(C)c2ccccc2)c1=O InChI=1S/C23H23N5O2/c1-15(16-7-4-3-5-8-16)27-20-14-24-22(25-17-11-12-17)26-21(20)28(23(27)29)18-9-6-10-19(13-18)30-2/h3-10,13-15,17H,11-12H2,1-2H3,(H,24,25,26) YVTRRGUYCMDLRM-UHFFFAOYSA-N 50248435 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-(1-phenylethyl)-7H-purin-8(9H)-one::CHEMBL523436 Adenosine receptor A2a Homo sapiens 359 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248435&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565033 104103090 CHEMBL523436 ZINC42890621 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448670 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(C)c1=O InChI=1S/C16H17N5O2/c1-20-13-9-17-15(18-10-6-7-10)19-14(13)21(16(20)22)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19) AJRRIEGYRSNLNQ-UHFFFAOYSA-N 50248436 2-(cyclopropylamino)-9-(3-methoxyphenyl)-7-methyl-7H-purin-8(9H)-one::CHEMBL489322 Adenosine receptor A2a Homo sapiens 2641 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248436&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565034 104103091 CHEMBL489322 ZINC40423081 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448671 COc1cccc(c1)-n1c2nc(NC3CC3)ncc2n(-c2ccccc2OC)c1=O InChI=1S/C22H21N5O3/c1-29-16-7-5-6-15(12-16)26-20-18(13-23-21(25-20)24-14-10-11-14)27(22(26)28)17-8-3-4-9-19(17)30-2/h3-9,12-14H,10-11H2,1-2H3,(H,23,24,25) UIPGYPFXNHMJOO-UHFFFAOYSA-N 50248477 2-(cyclopropylamino)-7-(2-methoxyphenyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL522628 Adenosine receptor A2a Homo sapiens 5122 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248477&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565076 104103128 CHEMBL522628 ZINC40949905 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448672 CNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C20H17F2N5O2/c1-23-19-24-10-17-18(25-19)27(12-5-3-6-13(9-12)29-2)20(28)26(17)11-14-15(21)7-4-8-16(14)22/h3-10H,11H2,1-2H3,(H,23,24,25) ZGPSYEBKBSDPDD-UHFFFAOYSA-N 50248478 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(methylamino)-7H-purin-8(9H)-one::CHEMBL491317 Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248478&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565077 104103129 CHEMBL491317 ZINC40949907 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448673 CCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C21H19F2N5O2/c1-3-24-20-25-11-18-19(26-20)28(13-6-4-7-14(10-13)30-2)21(29)27(18)12-15-16(22)8-5-9-17(15)23/h4-11H,3,12H2,1-2H3,(H,24,25,26) GBWIHBQNJASNMP-UHFFFAOYSA-N 50248479 7-(2,6-difluorobenzyl)-2-(ethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491318 Adenosine receptor A2a Homo sapiens 31 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248479&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565078 104103130 CHEMBL491318 ZINC40423866 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448674 COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C22H21F2N5O2/c1-13(2)26-21-25-11-19-20(27-21)29(14-6-4-7-15(10-14)31-3)22(30)28(19)12-16-17(23)8-5-9-18(16)24/h4-11,13H,12H2,1-3H3,(H,25,26,27) NKRRZFOQPKVEPI-UHFFFAOYSA-N 50248480 7-(2,6-difluorobenzyl)-2-(isopropylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491321 Adenosine receptor A2a Homo sapiens 60 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248480&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565079 104103131 CHEMBL491321 ZINC40950140 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448675 COc1cccc(c1)-n1c2nc(NCc3ccccc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C26H21F2N5O2/c1-35-19-10-5-9-18(13-19)33-24-23(15-30-25(31-24)29-14-17-7-3-2-4-8-17)32(26(33)34)16-20-21(27)11-6-12-22(20)28/h2-13,15H,14,16H2,1H3,(H,29,30,31) NPLCYSYGICENHP-UHFFFAOYSA-N 50248526 2-(benzylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL522462 Adenosine receptor A2a Homo sapiens 72 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248526&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565133 104103171 CHEMBL522462 ZINC40423859 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448676 COCCNc1ncc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c2n1 InChI=1S/C22H21F2N5O3/c1-31-10-9-25-21-26-12-19-20(27-21)29(14-5-3-6-15(11-14)32-2)22(30)28(19)13-16-17(23)7-4-8-18(16)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,26,27) JVPIASFXOWDRKZ-UHFFFAOYSA-N 50248527 7-(2,6-difluorobenzyl)-2-(2-methoxyethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491310 Adenosine receptor A2a Homo sapiens 106 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248527&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565134 104103172 CHEMBL491310 ZINC40949357 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448677 COc1cccc(c1)-n1c2nc(NC3CCCC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C24H23F2N5O2/c1-33-17-9-4-8-16(12-17)31-22-21(13-27-23(29-22)28-15-6-2-3-7-15)30(24(31)32)14-18-19(25)10-5-11-20(18)26/h4-5,8-13,15H,2-3,6-7,14H2,1H3,(H,27,28,29) HKQRSTRNUGFONN-UHFFFAOYSA-N 50248528 2-(cyclopentylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491311 Adenosine receptor A2a Homo sapiens 213 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248528&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565135 104103173 CHEMBL491311 ZINC40949359 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448678 COc1cccc(c1)-n1c2nc(NCC3CC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C23H21F2N5O2/c1-32-16-5-2-4-15(10-16)30-21-20(12-27-22(28-21)26-11-14-8-9-14)29(23(30)31)13-17-18(24)6-3-7-19(17)25/h2-7,10,12,14H,8-9,11,13H2,1H3,(H,26,27,28) FUIDWXLLDCWFBC-UHFFFAOYSA-N 50248529 2-(cyclopropylmethylamino)-7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL523815 Adenosine receptor A2a Homo sapiens 499 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248529&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565136 104103174 CHEMBL523815 ZINC40951913 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448679 COc1cccc(c1)-n1c2nc(NCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-8-4-7-17(12-18)33-23-22(14-30-24(31-23)29-13-16-6-2-3-11-28-16)32(25(33)34)15-19-20(26)9-5-10-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) VEKSDEIRAJKHPH-UHFFFAOYSA-N 50248575 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL464928 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248575&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565183 104103213 CHEMBL464928 ZINC40394979 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448680 COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-5-2-4-17(12-18)33-23-22(14-30-24(31-23)29-13-16-8-10-28-11-9-16)32(25(33)34)15-19-20(26)6-3-7-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) CPCBVGFLWLFBQV-UHFFFAOYSA-N 50248576 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL465338 Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248576&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44565184 104103214 CHEMBL465338 ZINC40394435 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448681 COc1cccc(c1)-n1c2nc(NCc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H20F2N6O2/c1-35-18-7-2-6-17(11-18)33-23-22(14-30-24(31-23)29-13-16-5-4-10-28-12-16)32(25(33)34)15-19-20(26)8-3-9-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31) PWTFTDKHCOVKRN-UHFFFAOYSA-N 50248577 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL516556 Adenosine receptor A2a Homo sapiens 66 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248577&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16036826 104103215 CHEMBL516556 ZINC34874664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448682 COc1cccc(c1)-n1c2nc(NCCc3ccccn3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C26H22F2N6O2/c1-36-19-8-4-7-18(14-19)34-24-23(33(26(34)35)16-20-21(27)9-5-10-22(20)28)15-31-25(32-24)30-13-11-17-6-2-3-12-29-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,30,31,32) UPPCVKRCEALPST-UHFFFAOYSA-N 50248578 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(pyridin-2-yl)ethylamino)-7H-purin-8(9H)-one::CHEMBL465538 Adenosine receptor A2a Homo sapiens 78 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50248578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50248578&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16064711 104103216 CHEMBL465538 ZINC34983859 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448683 COc1cccc(c1)-n1c2nc(Nc3cccnc3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C24H18F2N6O2/c1-34-17-7-2-6-16(11-17)32-22-21(13-28-23(30-22)29-15-5-4-10-27-12-15)31(24(32)33)14-18-19(25)8-3-9-20(18)26/h2-13H,14H2,1H3,(H,28,29,30) QDPZITDRBFKRTK-UHFFFAOYSA-N 50247931 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-3-ylamino)-7H-purin-8(9H)-one::CHEMBL491097 Adenosine receptor A2a Homo sapiens 111 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247931&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564568 104102678 CHEMBL491097 ZINC45505975 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448684 COc1cccc(c1)-n1c2nc(NCCN3CCOCC3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H26F2N6O3/c1-35-18-5-2-4-17(14-18)33-23-22(32(25(33)34)16-19-20(26)6-3-7-21(19)27)15-29-24(30-23)28-8-9-31-10-12-36-13-11-31/h2-7,14-15H,8-13,16H2,1H3,(H,28,29,30) HNYZOGALKPMEFC-UHFFFAOYSA-N 50247932 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-morpholinoethylamino)-7H-purin-8(9H)-one::CHEMBL521785 Adenosine receptor A2a Homo sapiens 259 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247932&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16064250 104102679 CHEMBL521785 ZINC34983104 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448685 COc1cccc(c1)-n1c2nc(NCCN(C)C)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C23H24F2N6O2/c1-29(2)11-10-26-22-27-13-20-21(28-22)31(15-6-4-7-16(12-15)33-3)23(32)30(20)14-17-18(24)8-5-9-19(17)25/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28) XCQIPBNUWFIJMO-UHFFFAOYSA-N 50247933 7-(2,6-difluorobenzyl)-2-(2-(dimethylamino)ethylamino)-9-(3-methoxyphenyl)-7H-purin-8(9H)-one::CHEMBL491285 Adenosine receptor A2a Homo sapiens 261 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247933&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44564569 104102680 CHEMBL491285 ZINC40952136 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50448686 COc1cccc(c1)-n1c2nc(NCCc3cccs3)ncc2n(Cc2c(F)cccc2F)c1=O InChI=1S/C25H21F2N5O2S/c1-34-17-6-2-5-16(13-17)32-23-22(14-29-24(30-23)28-11-10-18-7-4-12-35-18)31(25(32)33)15-19-20(26)8-3-9-21(19)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,29,30) LYNYVXYEWWSYMQ-UHFFFAOYSA-N 50247934 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(2-(thiophen-2-yl)ethylamino)-7H-purin-8(9H)-one::CHEMBL522268 Adenosine receptor A2a Homo sapiens 9 ChEMBL 10.1016/j.bmcl.2009.01.042 10.7270/Q26973F9 19181527 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50247934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50247934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44157013 104102681 CHEMBL522268 ZINC42890535 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439995 CCCn1c(=O)n(Cc2ccccc2)c2nc3n(CC)c(C)cn3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(21-19-22(5-2)14(3)12-24(16)19)25(20(23)27)13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3 ABHYOLCRTCYDDO-UHFFFAOYSA-N 50254972 1-Benzyl-8-ethyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]-purine-2,4-dione::CHEMBL481383 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254972&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570493 104107050 CHEMBL481383 ZINC40409602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439996 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)cn3c2c1=O InChI=1S/C19H21N5O2/c1-3-10-22-17(25)15-16(21-18-20-14(4-2)12-23(15)18)24(19(22)26)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21) AQSASUNPGDTELP-UHFFFAOYSA-N 50170141 1-Benzyl-7-ethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL372026 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170141&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11175566 104056605 CHEMBL372026 ZINC13648060 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439997 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)C InChI=1S/C20H23N5O2/c1-4-10-23-18(26)16-17(22-19-21-15(13(2)3)12-24(16)19)25(20(23)27)11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22) ASWLMOCIKJHRAO-UHFFFAOYSA-N 50170139 1-Benzyl-7-isopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-isopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188269 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170139&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11428535 104056603 CHEMBL188269 ZINC13648062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439998 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C(C)(C)C InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23) HSXKKRPCNBMEOM-UHFFFAOYSA-N 50170135 1-Benzyl-7-tert-butyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-tert-butyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191421 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170135&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11153187 104056599 CHEMBL191421 ZINC13648065 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50439999 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CC1 InChI=1S/C20H21N5O2/c1-2-10-23-18(26)16-17(22-19-21-15(12-24(16)19)14-8-9-14)25(20(23)27)11-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22) HQJVISVDMXOQSF-UHFFFAOYSA-N 50170140 1-Benzyl-7-cyclopropyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclopropyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL364036 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170140&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11394389 104056604 CHEMBL364036 ZINC13648067 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440000 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)C1CCCCC1 InChI=1S/C23H27N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,25) FSHOAOFFSOLCBW-UHFFFAOYSA-N 50170129 1-Benzyl-7-cyclohexyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-cyclohexyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL191414 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170129&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11774108 104056593 CHEMBL191414 ZINC13648069 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440001 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)c(C)n3c2c1=O InChI=1S/C19H21N5O2/c1-4-10-22-17(25)15-16(21-18-20-12(2)13(3)24(15)18)23(19(22)26)11-14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,20,21) OQLCMCFQKFYOAN-UHFFFAOYSA-N 50170134 1-Benzyl-6,7-dimethyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-6,7-dimethyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL188506 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170134&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11348709 104056598 CHEMBL188506 ZINC13648071 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440002 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(CC)c(C)n3c2c1=O InChI=1S/C20H23N5O2/c1-4-11-23-18(26)16-17(22-19-21-15(5-2)13(3)25(16)19)24(20(23)27)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,21,22) HXRUQROKFKMUEI-UHFFFAOYSA-N 50170138 1-Benzyl-7-ethyl-6-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-6-methyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL373090 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170138&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11257069 104056602 CHEMBL373090 ZINC13648074 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440003 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccccc1 InChI=1S/C23H21N5O2/c1-2-13-26-21(29)19-20(28(23(26)30)14-16-9-5-3-6-10-16)25-22-24-18(15-27(19)22)17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3,(H,24,25) UEXAJGWZPXRZGA-UHFFFAOYSA-N 50170128 1-Benzyl-7-phenyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL435887 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170128&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11452333 104056592 CHEMBL435887 ZINC13648049 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440004 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(OC)cc1 InChI=1S/C24H23N5O3/c1-3-13-27-22(30)20-21(29(24(27)31)14-16-7-5-4-6-8-16)26-23-25-19(15-28(20)23)17-9-11-18(32-2)12-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26) MOSPFLQQFAUCCI-UHFFFAOYSA-N 50170143 1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-methoxyphenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL189922 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170143&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11464552 104056607 CHEMBL189922 ZINC13648051 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440005 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(cc1)-c1ccccc1 InChI=1S/C29H25N5O2/c1-2-17-32-27(35)25-26(34(29(32)36)18-20-9-5-3-6-10-20)31-28-30-24(19-33(25)28)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16,19H,2,17-18H2,1H3,(H,30,31) BVGMOOZZMAZRCV-UHFFFAOYSA-N 50170133 1-Benzyl-7-biphenyl-4-yl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL190472 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170133&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11465677 104056597 CHEMBL190472 ZINC13648054 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440006 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(cn3c2c1=O)-c1ccc(F)cc1 InChI=1S/C23H20FN5O2/c1-2-12-27-21(30)19-20(29(23(27)31)13-15-6-4-3-5-7-15)26-22-25-18(14-28(19)22)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,25,26) LYKKTUMLNOYVLB-UHFFFAOYSA-N 50170130 1-Benzyl-7-(4-fluoro-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::1-benzyl-7-(4-fluorophenyl)-3-propyl-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione::CHEMBL426271 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170130&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11475577 104056594 CHEMBL426271 ZINC13648057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440007 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(Cn3c2c1=O)c1ccccc1 InChI=1S/C24H22N4O2/c1-2-13-26-23(29)21-22(28(24(26)30)15-17-9-5-3-6-10-17)25-20-14-19(16-27(20)21)18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3 ULFOXVWHSODZOV-UHFFFAOYSA-N 50170131 1-Benzyl-7-phenyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-phenyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL193100 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170131&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11463674 104056595 CHEMBL193100 ZINC13648037 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440008 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(C)Cn3c2c1=O InChI=1S/C19H20N4O2/c1-3-9-21-18(24)16-17(20-15-10-13(2)11-22(15)16)23(19(21)25)12-14-7-5-4-6-8-14/h4-8,10H,3,9,11-12H2,1-2H3 HMQNPUFPJRTPMX-UHFFFAOYSA-N 50170137 1-Benzyl-7-methyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-methyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL189904 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170137&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11371101 104056601 CHEMBL189904 ZINC13648040 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440009 CCCn1c(=O)n(Cc2ccccc2)c2nc3C=C(CC)Cn3c2c1=O InChI=1S/C20H22N4O2/c1-3-10-22-19(25)17-18(21-16-11-14(4-2)12-23(16)17)24(20(22)26)13-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-13H2,1-2H3 VRCZHWKFFVQSEO-UHFFFAOYSA-N 50170136 1-Benzyl-7-ethyl-3-propyl-1H,6H-pyrrolo[2,1-f]purine-2,4-dione::1-benzyl-7-ethyl-3-propyl-1H-pyrrolo[1,2-a]purine-2,4(3H,6H)-dione::CHEMBL371404 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170136&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11233411 104056600 CHEMBL371404 ZINC13648043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440037 CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20) PYBPORWWSICOQW-UHFFFAOYSA-N 50170132 1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL434534 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50170132 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50170132&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11209919 104056596 CHEMBL434534 ZINC11687038 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440038 CC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C18H17N5O3/c1-11-8-21-14-15(20-17(21)19-11)22(10-13-6-4-3-5-7-13)18(26)23(16(14)25)9-12(2)24/h3-8H,9-10H2,1-2H3,(H,19,20) JRBPFIYRAOCGAG-UHFFFAOYSA-N 50254894 1-Benzyl-7-methyl-3-(2-oxo-propyl)-1H,8H-imidazo-[2,1-f]purine-2,4-dione::CHEMBL465949 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254894&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570413 104106992 CHEMBL465949 ZINC40876936 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440039 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c23)[nH]1 InChI=1S/C15H13N5O2/c1-9-7-19-11-12(17-14(19)16-9)20(15(22)18-13(11)21)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,17)(H,18,21,22) SOHDIYAJIQVATR-UHFFFAOYSA-N 50254895 1-Benzyl-7-methyl-1H,3H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL518729 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254895&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570414 104106993 CHEMBL518729 ZINC40395149 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440040 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCO)c(=O)c23)[nH]1 InChI=1S/C17H17N5O3/c1-11-9-21-13-14(19-16(21)18-11)22(10-12-5-3-2-4-6-12)17(25)20(7-8-23)15(13)24/h2-6,9,23H,7-8,10H2,1H3,(H,18,19) QUMHJHHGEFMRTL-UHFFFAOYSA-N 50254896 1-Benzyl-7-methyl-3-(2-hydroxy-ethyl)-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL464076 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254896&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25147618 104106994 CHEMBL464076 ZINC40873572 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440041 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CCCO)c(=O)c23)[nH]1 InChI=1S/C18H19N5O3/c1-12-10-22-14-15(20-17(22)19-12)23(11-13-6-3-2-4-7-13)18(26)21(16(14)25)8-5-9-24/h2-4,6-7,10,24H,5,8-9,11H2,1H3,(H,19,20) XTUSDSICDXFRIG-UHFFFAOYSA-N 50254897 1-Benzyl-7-methyl-3-(2-hydroxy-propyl)-1H,8H-imidazo-[2,1-f]purine-2,4-dione::CHEMBL465281 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254897&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570415 104106995 CHEMBL465281 ZINC40876041 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440042 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC=C)c(=O)c23)[nH]1 InChI=1S/C18H17N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h3-8,10H,1,9,11H2,2H3,(H,19,20) ZLQOFPCKCSYVKQ-UHFFFAOYSA-N 50254898 1-Benzyl-7-methyl-3-allyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL464075 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254898&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570416 104106996 CHEMBL464075 ZINC40873355 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440043 Cc1cn2c(nc3n(Cc4ccccc4)c(=O)n(CC#C)c(=O)c23)[nH]1 InChI=1S/C18H15N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h1,4-8,10H,9,11H2,2H3,(H,19,20) HZBVRTIFGBGPJJ-UHFFFAOYSA-N 50254932 1-Benzyl-7-methyl-3-prop-2-ynyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL506908 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254932&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570454 104107021 CHEMBL506908 ZINC40977625 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440044 CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C19H19N5O4/c1-3-28-14(25)11-24-17(26)15-16(21-18-20-12(2)9-22(15)18)23(19(24)27)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21) DRLUVSBLMFMBQU-UHFFFAOYSA-N 50254933 (1-Benzyl-7-methyl-2,4-dioxo-1,2,4,8-tetrahydro-imidazo-[2,1-f]purin-3-yl)-acetic acid ethyl ester::CHEMBL465290 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254933&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570455 104107022 CHEMBL465290 ZINC40876884 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447652 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCc2ccccc2C1 InChI=1S/C20H22N6O/c1-13-10-14(2)26(24-13)20-22-18(21-15(3)27)11-19(23-20)25-9-8-16-6-4-5-7-17(16)12-25/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22,23,27) BJIHXFIZELWLCM-UHFFFAOYSA-N 50266384 CHEMBL456287::N-[6-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 4.2 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266384&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207955 104113783 CHEMBL456287 ZINC40380566 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447653 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1 FGADYIBOWLXZLA-CQSZACIVSA-N 50266416 CHEMBL458224::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-(R)-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 4.7 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24812771 104113798 CHEMBL458224 ZINC40394057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447654 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1 SIFGOPVTYSLYLX-CQSZACIVSA-N 50255246 CHEMBL469488::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]propionamide Adenosine receptor A2a Homo sapiens 5.9 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255246 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255246&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208259 104107236 CHEMBL469488 ZINC40892228 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447655 COC[C@H]1C[C@@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC InChI=1S/C18H26N6O3/c1-11-6-12(2)24(22-11)18-20-16(19-13(3)25)8-17(21-18)23-9-15(27-5)7-14(23)10-26-4/h6,8,14-15H,7,9-10H2,1-5H3,(H,19,20,21,25)/t14-,15+/m1/s1 FCRJTICZALDLSZ-CABCVRRESA-N 50266474 CHEMBL455848::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((S)-4-methoxy-(R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 7.5 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266474&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208109 104113831 CHEMBL455848 ZINC40848617 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447656 COCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24) FGADYIBOWLXZLA-UHFFFAOYSA-N 50266415 CHEMBL516168::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 9 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266415&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207959 104113797 CHEMBL516168 ZINC40394059 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447658 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O InChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22) XKIKFDDSMFZYHX-UHFFFAOYSA-N 50266381 CHEMBL515992::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24989636 104113780 CHEMBL515992 ZINC40848305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447659 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 InChI=1S/C15H19N5O2S/c1-10(21)17-12-8-13(20-6-3-4-11(20)9-22-2)19-14(18-12)15-16-5-7-23-15/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1 YUBORDSDHOFYPC-NSHDSACASA-N 50266504 CHEMBL456069::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-thiazol-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266504&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210117 104113847 CHEMBL456069 ZINC40380035 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447660 COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1 NGBUOZZQRKAQRL-CYBMUJFWSA-N 50255188 CHEMBL480444::[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]carbamic Acid Methyl Ester Adenosine receptor A2a Homo sapiens 19 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255188&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208260 104107195 CHEMBL480444 ZINC40935707 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447661 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1 InChI=1S/C15H19N5O2S/c1-10(21)17-12-8-13(20-6-3-4-11(20)9-22-2)19-14(18-12)15-16-5-7-23-15/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,17,18,19,21)/t11-/m1/s1 YUBORDSDHOFYPC-LLVKDONJSA-N 50255185 CHEMBL480443::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-thiazol-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255185&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208257 104107192 CHEMBL480443 ZINC40412560 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447662 COC[C@H]1C[C@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC InChI=1S/C18H26N6O3/c1-11-6-12(2)24(22-11)18-20-16(19-13(3)25)8-17(21-18)23-9-15(27-5)7-14(23)10-26-4/h6,8,14-15H,7,9-10H2,1-5H3,(H,19,20,21,25)/t14-,15-/m1/s1 FCRJTICZALDLSZ-HUUCEWRRSA-N 50266475 CHEMBL455849::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-4-methoxy-(R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 23 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266475&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208254 104113832 CHEMBL455849 ZINC40379772 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447663 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1CO InChI=1S/C16H22N6O2/c1-10-7-11(2)22(20-10)16-18-14(17-12(3)24)8-15(19-16)21-6-4-5-13(21)9-23/h7-8,13,23H,4-6,9H2,1-3H3,(H,17,18,19,24)/t13-/m0/s1 IHVOVVIHCKVZED-ZDUSSCGKSA-N 50266441 CHEMBL515344::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-hydroxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 25.8 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266441&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581894 104113811 CHEMBL515344 ZINC40380606 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447664 CCCC1CCN(C1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O/c1-5-6-15-7-8-23(11-15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25) BOLIEOARQUBCKA-UHFFFAOYSA-N 50266412 CHEMBL456051::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 26 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266412&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581866 104113794 CHEMBL456051 ZINC40846799 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447665 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m0/s1 JSBYWPLAHJGGCH-LBPRGKRZSA-N 50266503 CHEMBL456068::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-thiophen-2-yl-pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266503&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208256 104113846 CHEMBL456068 ZINC40847999 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447666 CC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C16H22N6O/c1-10-8-12(3)22(20-10)16-18-14(17-13(4)23)9-15(19-16)21-7-5-6-11(21)2/h8-9,11H,5-7H2,1-4H3,(H,17,18,19,23) FINGQUKKTRAYQK-UHFFFAOYSA-N 50266385 CHEMBL456073::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 28 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266385&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207956 104113784 CHEMBL456073 ZINC40390984 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447667 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COc1ccccn1 InChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m1/s1 MDXHAAVALMQUQH-QGZVFWFLSA-N 50266472 CHEMBL457573::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(R)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 40 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266472&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208107 104113829 CHEMBL457573 ZINC40379670 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447668 COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(n1)-n1nc(C)cc1C InChI=1S/C19H29N7O2/c1-12(2)20-19(27)22-16-10-17(25-8-6-7-15(25)11-28-5)23-18(21-16)26-14(4)9-13(3)24-26/h9-10,12,15H,6-8,11H2,1-5H3,(H2,20,21,22,23,27)/t15-/m1/s1 MTZHACHOHNFIFR-OAHLLOKOSA-N 50255247 1-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]-3-isopropylurea::CHEMBL481817 Adenosine receptor A2a Homo sapiens 43 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255247&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210119 104107237 CHEMBL481817 ZINC40934923 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447669 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m1/s1 BHXYDHWPQIADCG-CYBMUJFWSA-N 50255187 CHEMBL521082::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 46 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255187&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208258 104107194 CHEMBL521082 ZINC40410938 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447670 COC[C@@H]1CCC(C)N1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O2/c1-11-8-13(3)24(22-11)18-20-16(19-14(4)25)9-17(21-18)23-12(2)6-7-15(23)10-26-5/h8-9,12,15H,6-7,10H2,1-5H3,(H,19,20,21,25)/t12?,15-/m0/s1 VFZQDRIKYWPIDY-CVRLYYSRSA-N 50266443 CHEMBL458232::N-[2-(3,5-Dimethylpyrazol--yl)-6-((R)-2-methoxymethyl-5-methylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 47 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266443&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581896 104113813 CHEMBL458232 ZINC40863251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447671 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1cccs1 InChI=1S/C16H20N4O2S/c1-11(21)17-14-9-15(20-7-3-5-12(20)10-22-2)19-16(18-14)13-6-4-8-23-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3,(H,17,18,19,21)/t12-/m1/s1 JSBYWPLAHJGGCH-GFCCVEGCSA-N 50266502 CHEMBL510696::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 47 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266502&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210116 104113845 CHEMBL510696 ZINC40847544 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447672 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1 InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m0/s1 BHXYDHWPQIADCG-ZDUSSCGKSA-N 50255186 CHEMBL446738::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255186&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25209990 104107193 CHEMBL446738 ZINC40980801 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447673 COC[C@H]1CCCN1c1cc(NC(=O)CC(C)C)nc(n1)-n1nc(C)cc1C InChI=1S/C20H30N6O2/c1-13(2)9-19(27)21-17-11-18(25-8-6-7-16(25)12-28-5)23-20(22-17)26-15(4)10-14(3)24-26/h10-11,13,16H,6-9,12H2,1-5H3,(H,21,22,23,27)/t16-/m1/s1 CKWQSSKRPNSISV-MRXNPFEDSA-N 50255248 CHEMBL482011::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylbutyramide Adenosine receptor A2a Homo sapiens 50 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255248 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255248&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210118 104107238 CHEMBL482011 ZINC40410541 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447677 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCCC1 InChI=1S/C16H22N6O/c1-11-9-12(2)22(20-11)16-18-14(17-13(3)23)10-15(19-16)21-7-5-4-6-8-21/h9-10H,4-8H2,1-3H3,(H,17,18,19,23) DHTULAQTJMSBAR-UHFFFAOYSA-N 50266380 CHEMBL457578::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 78 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266380&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210255 104113779 CHEMBL457578 ZINC40848304 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447678 CCN(CC)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C15H22N6O/c1-6-20(7-2)14-9-13(16-12(5)22)17-15(18-14)21-11(4)8-10(3)19-21/h8-9H,6-7H2,1-5H3,(H,16,17,18,22) WGINQISWUSBVEU-UHFFFAOYSA-N 50255249 CHEMBL445755::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-diethylamino-1-yl-pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 92 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255249 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255249&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210254 104107239 CHEMBL445755 ZINC40833602 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447680 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1 InChI=1S/C15H20N6O/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-6-4-5-7-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22) SUSJUEJXDAVAEM-UHFFFAOYSA-N 50255250 CHEMBL519952::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255250 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255250&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24989637 104107240 CHEMBL519952 ZINC40933855 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447681 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m0/s1 HGXZPEGELGIADN-ZDUSSCGKSA-N 50255184 CHEMBL521081::N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 119 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255184&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208255 104107191 CHEMBL521081 ZINC40935413 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447686 COC(=O)[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H22N6O3/c1-10-8-11(2)23(21-10)17-19-14(18-12(3)24)9-15(20-17)22-7-5-6-13(22)16(25)26-4/h8-9,13H,5-7H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1 ATWJGPBKXBYQRH-CYBMUJFWSA-N 50266413 (R)-1-[6-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic Acid Methyl Ester::CHEMBL515190 Adenosine receptor A2a Homo sapiens 205 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266413&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207957 104113795 CHEMBL515190 ZINC40849224 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447689 COC[C@H]1CCCN1c1cc(N)nc(n1)-n1nc(C)cc1C InChI=1S/C15H22N6O/c1-10-7-11(2)21(19-10)15-17-13(16)8-14(18-15)20-6-4-5-12(20)9-22-3/h7-8,12H,4-6,9H2,1-3H3,(H2,16,17,18)/t12-/m1/s1 JYIMVDSGZBYVOH-GFCCVEGCSA-N 50255189 2-(3,5-Dimethylpyrazol-1-yl)-6-((R)-2-methoxymethylpyrrolidin-1-yl)pyrimidin-4-ylamine::CHEMBL482213 Adenosine receptor A2a Homo sapiens 261 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255189&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24989638 104107196 CHEMBL482213 ZINC40919288 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447690 COCC[C@@H]1CCCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C19H28N6O2/c1-13-11-14(2)25(23-13)19-21-17(20-15(3)26)12-18(22-19)24-9-6-5-7-16(24)8-10-27-4/h11-12,16H,5-10H2,1-4H3,(H,20,21,22,26)/t16-/m0/s1 UGNSMPYSZOFILX-INIZCTEOSA-N 50266442 CHEMBL515218::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(R)-2-(2-methoxyethyl)piperidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 275 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266442&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581895 104113812 CHEMBL515218 ZINC40391160 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447691 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCOCC1 InChI=1S/C15H20N6O2/c1-10-8-11(2)21(19-10)15-17-13(16-12(3)22)9-14(18-15)20-4-6-23-7-5-20/h8-9H,4-7H2,1-3H3,(H,16,17,18,22) UTOGKCKVWJBVAS-UHFFFAOYSA-N 50266382 CHEMBL457579::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 313 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266382&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210256 104113781 CHEMBL457579 ZINC40848306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447694 COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m0/s1 FGADYIBOWLXZLA-AWEZNQCLSA-N 50266439 CHEMBL515192::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-(S)-methoxymethyl)pyrrolidin-1-ylpyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 324 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266439&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207960 104113809 CHEMBL515192 ZINC40394059 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447698 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@H]1COc1ccccn1 InChI=1S/C21H25N7O2/c1-14-11-15(2)28(26-14)21-24-18(23-16(3)29)12-19(25-21)27-10-6-7-17(27)13-30-20-8-4-5-9-22-20/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,23,24,25,29)/t17-/m0/s1 MDXHAAVALMQUQH-KRWDZBQOSA-N 50266473 CHEMBL459098::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(S)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 439 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266473&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25208108 104113830 CHEMBL459098 ZINC40863664 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447699 CCOCC1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C18H26N6O2/c1-5-26-11-15-7-6-8-23(15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25) RAEPBILQBUXWGC-UHFFFAOYSA-N 50266440 CHEMBL456271::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-ethoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 455 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266440&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207961 104113810 CHEMBL456271 ZINC40860600 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447707 CN1CCN(CC1)c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C16H23N7O/c1-11-9-12(2)23(20-11)16-18-14(17-13(3)24)10-15(19-16)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3,(H,17,18,19,24) WSJKENGAIRXRGV-UHFFFAOYSA-N 50266383 CHEMBL457580::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 1867 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266383&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25210257 104113782 CHEMBL457580 ZINC40379862 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440045 CN(C)CCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O InChI=1S/C19H22N6O2/c1-13-11-24-15-16(21-18(24)20-13)25(12-14-7-5-4-6-8-14)19(27)23(17(15)26)10-9-22(2)3/h4-8,11H,9-10,12H2,1-3H3,(H,20,21) ZWDJWTWWEXUUCR-UHFFFAOYSA-N 50254934 1-Benzyl-3-(2-dimethylamino-ethyl)-7-methyl-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL464437 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254934&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570456 104107023 CHEMBL464437 ZINC40866968 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440046 CC(CO)n1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 InChI=1S/C18H19N5O3/c1-11-8-21-14-15(19-17(21)23(11)12(2)10-24)22(18(26)20-16(14)25)9-13-6-4-3-5-7-13/h3-8,12,24H,9-10H2,1-2H3,(H,20,25,26) CWLRKKMZXCWJEO-UHFFFAOYSA-N 50254935 1-Benzyl-8-(2-hydroxy-1-methyl-ethyl)-7-methyl-1H,8Himidazo[2,1-f]purine-2,4-dione::CHEMBL518703 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254935&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570457 104107024 CHEMBL518703 ZINC40393193 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50440047 CCn1c(C)cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21 InChI=1S/C17H17N5O2/c1-3-20-11(2)9-21-13-14(18-16(20)21)22(17(24)19-15(13)23)10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,19,23,24) WZJQITZITRNABL-UHFFFAOYSA-N 50254936 1-Benzyl-8-ethyl-7-methyl-1H,8H-imidazo[2,1-f]purine-2,4-dione::CHEMBL464438 Adenosine receptor A2a Homo sapiens >1000 ChEMBL 10.1016/j.bmc.2008.10.049 10.7270/Q2CZ3715 19006671 Baraldi, PG; Preti, D; Tabrizi, MA; Romagnoli, R; Saponaro, G; Baraldi, S; Botta, M; Bernardini, C; Tafi, A; Tuccinardi, T; Martinelli, A; Varani, K; Borea, PA Università di Ferrara http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50254936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50254936&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44570458 104107025 CHEMBL464438 ZINC40866970 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443349 O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22) GHMVNUPBBMBPQG-UHFFFAOYSA-N 50266051 (4-(furan-2-yl)-2-(2-(thiophen-2-yl)ethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL457102 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266051&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581428 104113575 CHEMBL457102 ZINC40848286 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443350 O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21) LLLDLOJFFPPLKI-UHFFFAOYSA-N 50266020 (4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL516871 Adenosine receptor A2a Homo sapiens 43 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266020&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25211167 104113552 CHEMBL516871 ZINC40401774 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443351 O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1 InChI=1S/C19H14N2O2S2/c22-17(13-6-2-1-3-7-13)18-16(15-9-4-10-23-15)21-19(25-18)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,20,21) IYYGANUHKCRQPE-UHFFFAOYSA-N 50266021 (4-(furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL456457 Adenosine receptor A2a Homo sapiens 54 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266021&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15950360 104113553 CHEMBL456457 ZINC34804177 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447717 COC(=O)[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H22N6O3/c1-10-8-11(2)23(21-10)17-19-14(18-12(3)24)9-15(20-17)22-7-5-6-13(22)16(25)26-4/h8-9,13H,5-7H2,1-4H3,(H,18,19,20,24)/t13-/m0/s1 ATWJGPBKXBYQRH-ZDUSSCGKSA-N 50266414 (S)-1-[6-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic Acid Methyl Ester::CHEMBL456264 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266414&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25207958 104113796 CHEMBL456264 ZINC40380239 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447720 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCCC1=O InChI=1S/C15H18N6O2/c1-9-7-10(2)21(19-9)15-17-12(16-11(3)22)8-13(18-15)20-6-4-5-14(20)23/h7-8H,4-6H2,1-3H3,(H,16,17,18,22) XKIKFDDSMFZYHX-UHFFFAOYSA-N 50266381 CHEMBL515992::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266381&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24989636 104113780 CHEMBL515992 ZINC40848305 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447721 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m1/s1 FGADYIBOWLXZLA-CQSZACIVSA-N 50266416 CHEMBL458224::N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(2-(R)-methoxymethylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 85 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266416&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 24812771 104113798 CHEMBL458224 ZINC40394057 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447728 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24) ZPOFECDYIXUBJD-UHFFFAOYSA-N 26237 CHEMBL458242::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6g Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26237&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138078 56464674 CHEMBL458242 ZINC40864215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447729 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C InChI=1S/C17H18N6O2/c1-10-5-11(2)23(22-10)17-20-15(7-16(21-17)19-12(3)24)13-6-14(25-4)9-18-8-13/h5-9H,1-4H3,(H,19,20,21,24) ZPOFECDYIXUBJD-UHFFFAOYSA-N 26237 CHEMBL458242::N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 6g Adenosine receptor A2a Homo sapiens 85 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26237 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26237&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25138078 56464674 CHEMBL458242 ZINC40864215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447730 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1O InChI=1S/C17H17N5O2/c1-10-8-11(2)22(21-10)17-19-14(9-16(20-17)18-12(3)23)13-6-4-5-7-15(13)24/h4-9,24H,1-3H3,(H,18,19,20,23) MDTXXSDPNKPXPF-UHFFFAOYSA-N 50266505 CHEMBL515526::N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-hydroxyphenyl)pyrimidin-4-yl)acetamide Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266505 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266505&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581942 104113848 CHEMBL515526 ZINC40864217 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50447731 COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccc(C)o1 InChI=1S/C17H22N4O3/c1-11-6-7-14(24-11)17-19-15(18-12(2)22)9-16(20-17)21-8-4-5-13(21)10-23-3/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,18,19,20,22)/t13-/m1/s1 HGXZPEGELGIADN-CYBMUJFWSA-N 50266476 CHEMBL508786::N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1021/jm800908d 10.7270/Q2PG1RKR 19140664 Lanier, MC; Moorjani, M; Luo, Z; Chen, Y; Lin, E; Tellew, JE; Zhang, X; Williams, JP; Gross, RS; Lechner, SM; Markison, S; Joswig, T; Kargo, W; Piercey, J; Santos, M; Malany, S; Zhao, M; Petroski, R; Crespo, MI; Diaz, JL; Saunders, J; Wen, J; O'Brien, Z; Jalali, K; Madan, A; Slee, DH Neurocrine Biosciences Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266476&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25209991 104113833 CHEMBL508786 ZINC40848619 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443360 CN(C)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C16H14N2O2S/c1-18(2)16-17-13(12-9-6-10-20-12)15(21-16)14(19)11-7-4-3-5-8-11/h3-10H,1-2H3 ZFPWYHVOECDVBQ-UHFFFAOYSA-N 50266053 (2-(dimethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL512025 Adenosine receptor A2a Homo sapiens 6818 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581430 104113577 CHEMBL512025 ZINC40379959 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443361 O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1 InChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2 CODZQUKWDQBJNQ-UHFFFAOYSA-N 50266086 (2-(benzyl(2-(thiophen-2-yl)ethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456256 Adenosine receptor A2a Homo sapiens 7140 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266086&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581472 104113604 CHEMBL456256 ZINC40848374 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443362 CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3 YNKWDHWPAYXFLC-UHFFFAOYSA-N 50266085 (4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)amino)thiazol-5-yl)(phenyl)methanone::CHEMBL456257 Adenosine receptor A2a Homo sapiens 8170 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266085&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581471 104113603 CHEMBL456257 ZINC40848653 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443370 O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25) ORZFUSWWXUVGND-UHFFFAOYSA-N 50266022 (2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456455 Adenosine receptor A2a Homo sapiens 61 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266022&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581398 104113554 CHEMBL456455 ZINC40847581 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443371 Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25) PJBOAYIIKGMTMD-UHFFFAOYSA-N 50266019 (2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL465171 Adenosine receptor A2a Homo sapiens 64 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266019&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16050635 104113551 CHEMBL465171 ZINC34948285 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443372 CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17) VVCBHFZICJIYTO-UHFFFAOYSA-N 50265981 (4-(furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL461665 Adenosine receptor A2a Homo sapiens 67 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265981 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265981&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581364 104113526 CHEMBL461665 ZINC40874290 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443373 O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1 InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2 UXTNNVIYBQKXOL-UHFFFAOYSA-N 50266084 (2-(benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL457546 Adenosine receptor A2a Homo sapiens 88 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266084&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25211166 104113602 CHEMBL457546 ZINC40380378 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443374 CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20) MYVPXLHJBRJPSV-UHFFFAOYSA-N 50265982 (4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL516948 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265982 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265982&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581365 104113527 CHEMBL516948 ZINC40864395 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443375 Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29) HVKJEQVCCNXTHI-UHFFFAOYSA-N 50266018 (2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL452203 Adenosine receptor A2a Homo sapiens 105 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266018&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581397 104113550 CHEMBL452203 ZINC40380530 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443376 O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1 InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25) VZEXLUMZSFKUJP-UHFFFAOYSA-N 50266052 (4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL457103 Adenosine receptor A2a Homo sapiens 105 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266052&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581429 104113576 CHEMBL457103 ZINC40848287 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443377 COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H18N2O3S/c1-12(22-2)11-19-18-20-15(14-9-6-10-23-14)17(24-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20) LCQMEUVWVNWEOX-UHFFFAOYSA-N 50265984 (4-(furan-2-yl)-2-(2-methoxypropylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL460171 Adenosine receptor A2a Homo sapiens 154 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265984 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265984&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581367 104113529 CHEMBL460171 ZINC40392334 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443378 CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3 DKICFZCZJPNDET-UHFFFAOYSA-N 50266055 (4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino)thiazol-5-yl)(phenyl)methanone::CHEMBL508555 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266055&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581432 104113579 CHEMBL508555 ZINC40379220 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443379 COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19) KWZVOZYJVSTZBL-UHFFFAOYSA-N 50265983 (4-(furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone::CHEMBL460170 Adenosine receptor A2a Homo sapiens 195 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265983 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265983&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581366 104113528 CHEMBL460170 ZINC40391872 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443380 CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21) QCWIIINNGDMPMR-UHFFFAOYSA-N 50265985 CHEMBL460172::N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide Adenosine receptor A2a Homo sapiens 281 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265985 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265985&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581368 104113530 CHEMBL460172 ZINC40864392 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443381 CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23) IOGXGBJVAXMMAH-UHFFFAOYSA-N 50265986 1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone::CHEMBL460384 Adenosine receptor A2a Homo sapiens 455 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50265986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50265986&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581369 104113531 CHEMBL460384 ZINC40862461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50443386 CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 InChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3 HGFUXSJCWBETFB-UHFFFAOYSA-N 50266054 (2-(benzyl(methyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone::CHEMBL456033 Adenosine receptor A2a Homo sapiens 2798 ChEMBL 10.1016/j.bmcl.2008.11.066 10.7270/Q2348K6P 19059776 Cole, AG; Stauffer, TM; Rokosz, LL; Metzger, A; Dillard, LW; Zeng, W; Henderson, I Pharmacopeia Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50266054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50266054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44581431 104113578 CHEMBL456033 ZINC40849205 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433896 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 HUJXGQILHAUCCV-MOROJQBDSA-N 50118812 (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide::(3R,4S,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::(N-6-(3-iodobenzyl)adenosine-5'-N-methyluronamide::3,4-Dihydroxy-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL119709::IB-MECA::N6-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine Adenosine receptor A2a Homo sapiens 2900 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118812&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search Q8L 8CXW 123683 104012075 73286 CHEMBL119709 DB05511 422 ZINC03811810 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433908 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 IDVXTFYPPUNLDO-AXAPSJFSSA-N 50252757 (2R,3R,4S)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL500569 Adenosine receptor A2a Homo sapiens 230 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252757&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25003340 104105495 CHEMBL500569 ZINC40424742 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433909 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 YPCLFHBYRDLMJY-AXAPSJFSSA-N 50252756 (2R,3R,4S)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL522856 Adenosine receptor A2a Homo sapiens 420 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252756 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252756&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25003339 104105494 CHEMBL522856 ZINC40956058 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433910 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 CKXSTCOOOXXOLA-AXAPSJFSSA-N 50252755 (2R,3R,4S)-2-(6-(3-Chlorobenzylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL494086 Adenosine receptor A2a Homo sapiens 440 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252755 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252755&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25003338 104105493 CHEMBL494086 ZINC40956055 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433911 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 YDNYUMZDXCVVRT-AXAPSJFSSA-N 50252717 (2R,3R,4S)-2-(6-(3-Fluorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol::CHEMBL509055 Adenosine receptor A2a Homo sapiens 1260 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50252717 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50252717&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 25002987 104105460 CHEMBL509055 ZINC40379374 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433912 CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 JXJRUAGROQMNET-MOROJQBDSA-N 50177309 (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N,N-dimethyl-tetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic aciddimethylamide::CHEMBL436485 Adenosine receptor A2a Homo sapiens >10000 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177309&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16656768 104062777 CHEMBL436485 ZINC28568789 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433913 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50433914 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5360 ChEMBL 10.1021/jm8008647 10.7270/Q2XG9QZG 18811138 Jeong, LS; Pal, S; Choe, SA; Choi, WJ; Jacobson, KA; Gao, ZG; Klutz, AM; Hou, X; Kim, HO; Lee, HW; Lee, SK; Tosh, DK; Moon, HR Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455373 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1 ZKIZBXWHVOAQQX-SDBHATRESA-N 50267393 CHEMBL477444::N6-Cyclopentyl-9H-(5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A2a Homo sapiens 837 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267393&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 14426726 104114235 CHEMBL477444 ZINC13776769 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455374 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H19Cl2N5O3/c16-5-8-10(23)11(24)14(25-8)22-6-18-9-12(19-7-3-1-2-4-7)20-15(17)21-13(9)22/h6-8,10-11,14,23-24H,1-5H2,(H,19,20,21)/t8-,10-,11-,14-/m1/s1 GWUOJELSUSGGDU-IDTAVKCVSA-N 50267394 2,5'-dichloro-5'-deoxy-N6-cyclopentyladenosine::CHEMBL477445 Adenosine receptor A2a Homo sapiens 2160 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267394&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582613 104114236 CHEMBL477445 ZINC40917514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455375 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 PVJGDYDNVNCGBT-STHLEMNDSA-N 50267395 5'-chloro-5'-deoxy-N6-((-endo-norborn-2-yl)adenosine::CHEMBL449575 Adenosine receptor A2a Homo sapiens 1340 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267395&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42636897 104114237 CHEMBL449575 ZINC40845240 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455376 O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C17H21Cl2N5O3/c18-5-10-12(25)13(26)16(27-10)24-6-20-11-14(22-17(19)23-15(11)24)21-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,25-26H,1-5H2,(H,21,22,23)/t7?,8?,9?,10-,12-,13-,16-/m1/s1 JCAVHDDDZIXFHB-NNBIHLJJSA-N 50267396 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL514541 Adenosine receptor A2a Homo sapiens 2050 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267396&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582614 104114238 CHEMBL514541 ZINC40915757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455377 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C16H22ClN5O3/c1-16(24)12(23)10(6-17)25-15(16)22-8-20-11-13(18-7-19-14(11)22)21-9-4-2-3-5-9/h7-10,12,15,23-24H,2-6H2,1H3,(H,18,19,21)/t10-,12-,15-,16-/m1/s1 NLIFRXPNXHCYSY-QTDMDRALSA-N 50267397 CHEMBL515330::N6-Cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267397&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42625614 104114239 CHEMBL515330 ZINC40405043 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455378 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C16H21Cl2N5O3/c1-16(25)11(24)9(6-17)26-14(16)23-7-19-10-12(20-8-4-2-3-5-8)21-15(18)22-13(10)23/h7-9,11,14,24-25H,2-6H2,1H3,(H,20,21,22)/t9-,11-,14-,16-/m1/s1 GHKVAAPTNWFDFP-ROMFRFKVSA-N 50267474 2-Chloro-N6-cyclopentyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL478071 Adenosine receptor A2a Homo sapiens 16200 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267474&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42625615 104114297 CHEMBL478071 ZINC40407717 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455379 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C18H24ClN5O3/c1-18(26)14(25)12(6-19)27-17(18)24-8-22-13-15(20-7-21-16(13)24)23-11-5-9-2-3-10(11)4-9/h7-12,14,17,25-26H,2-6H2,1H3,(H,20,21,23)/t9?,10?,11?,12-,14-,17-,18-/m1/s1 KJRVCYQOURUJNS-JCGITXMQSA-N 50267475 CHEMBL477665::N6-(+/-)-endo-Norbornyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine Adenosine receptor A2a Homo sapiens 24000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267475&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582652 104114298 CHEMBL477665 ZINC40406679 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455380 C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,18-/m1/s1 MCWKNNFERCKYEZ-JJSDLRPOSA-N 50267476 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL514701 Adenosine receptor A2a Homo sapiens 31600 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267476&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582653 104114299 CHEMBL514701 ZINC40917048 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455381 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C21H24FN5O3S/c22-13-7-3-4-8-15(13)31-9-14-17(28)18(29)21(30-14)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21-/m1/s1 SKEFGDREBIAUKI-HAXDFEGKSA-N 50267477 CHEMBL477666::N6-cyclopentyl-5'-(2-fluorophenylthio)-5'-deoxyadenosine Adenosine receptor A2a Homo sapiens 5170 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267477&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582654 104114300 CHEMBL477666 ZINC40917050 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455382 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C21H23ClFN5O3S/c22-21-26-18(25-11-5-1-2-6-11)15-19(27-21)28(10-24-15)20-17(30)16(29)13(31-20)9-32-14-8-4-3-7-12(14)23/h3-4,7-8,10-11,13,16-17,20,29-30H,1-2,5-6,9H2,(H,25,26,27)/t13-,16-,17-,20-/m1/s1 XRENBVUKDQUOEX-AEVYOOLXSA-N 50267478 2-Chloro-N6-cyclopentyl-9H-[5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL477667 Adenosine receptor A2a Homo sapiens 2190 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267478&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42625766 104114301 CHEMBL477667 ZINC40406222 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455383 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)ncnc12 InChI=1S/C22H26FN5O3S/c1-22(30)18(29)15(10-32-16-9-5-4-8-14(16)23)31-21(22)28-12-26-17-19(24-11-25-20(17)28)27-13-6-2-3-7-13/h4-5,8-9,11-13,15,18,21,29-30H,2-3,6-7,10H2,1H3,(H,24,25,27)/t15-,18-,21-,22-/m1/s1 HLCHODGVFAWXHE-CSOSIKBCSA-N 50267534 CHEMBL523934::N6-Cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267534&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42625691 104114344 CHEMBL523934 ZINC42889638 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455384 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C22H25ClFN5O3S/c1-22(31)17(30)14(10-33-15-9-5-4-8-13(15)24)32-20(22)29-11-25-16-18(26-12-6-2-3-7-12)27-21(23)28-19(16)29/h4-5,8-9,11-12,14,17,20,30-31H,2-3,6-7,10H2,1H3,(H,26,27,28)/t14-,17-,20-,22-/m1/s1 BCVLVMKKFUPZOJ-WJUSGVQTSA-N 50267535 2-Chloro-N6-cyclopentyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL489226 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267535&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42625767 104114345 CHEMBL489226 ZINC40423087 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455385 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C24H28FN5O3S/c1-24(32)20(31)17(10-34-18-5-3-2-4-15(18)25)33-23(24)30-12-28-19-21(26-11-27-22(19)30)29-16-9-13-6-7-14(16)8-13/h2-5,11-14,16-17,20,23,31-32H,6-10H2,1H3,(H,26,27,29)/t13?,14?,16?,17-,20-,23-,24-/m1/s1 NHVSFMHVXXRXTK-FKVZXCLDSA-N 50267536 CHEMBL489428::N6-(+/-)-endo-Norbornyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267536&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582690 104114346 CHEMBL489428 ZINC40423436 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455386 C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C24H27ClFN5O3S/c1-24(33)19(32)16(10-35-17-5-3-2-4-14(17)26)34-22(24)31-11-27-18-20(29-23(25)30-21(18)31)28-15-9-12-6-7-13(15)8-12/h2-5,11-13,15-16,19,22,32-33H,6-10H2,1H3,(H,28,29,30)/t12?,13?,15?,16-,19-,22-,24-/m1/s1 HBQQLUQZBVQYNK-OHNWYQNPSA-N 50267537 2-Chloro-N6-(+/-)-endo-norbornyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine::CHEMBL489628 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267537 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267537&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582691 104114347 CHEMBL489628 ZINC40421343 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455387 O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1 XFBWHONCPLPUJK-OFGIKRIPSA-N 50267574 CHEMBL489638::N6-Tetrahydrofuranyl-9H-[5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine Adenosine receptor A2a Homo sapiens 18900 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267574&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582723 104114384 CHEMBL489638 ZINC40949493 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455388 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C18H25N5O4/c1-18(26)14(25)12(6-24)27-17(18)23-8-21-13-15(19-7-20-16(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14,17,24-26H,2-6H2,1H3,(H,19,20,22)/t9?,10?,11?,12-,14-,17-,18-/m1/s1 CYNWVQQNSGCUDM-JCGITXMQSA-N 50267575 CHEMBL522095::N6-(+/-)-endo-Norbornyl-9H-(2-C-methyl-beta-D-ribofuranosyl)-adenine Adenosine receptor A2a Homo sapiens 8780 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267575&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582724 104114385 CHEMBL522095 ZINC40423563 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455389 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C18H24ClN5O4/c1-18(27)13(26)11(6-25)28-16(18)24-7-20-12-14(22-17(19)23-15(12)24)21-10-5-8-2-3-9(10)4-8/h7-11,13,16,25-27H,2-6H2,1H3,(H,21,22,23)/t8?,9?,10?,11-,13-,16-,18-/m1/s1 RCXQAUDRRQGKAP-JJSDLRPOSA-N 50267576 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-beta-D-ribofuranosyl)adenine::CHEMBL489639 Adenosine receptor A2a Homo sapiens 11800 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267576&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582725 104114386 CHEMBL489639 ZINC40949776 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455390 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 YKPCEENRZZBDMC-STHLEMNDSA-N 50267577 CHEMBL489640::N6-((+/-)-endo-norborn-2-yl)adenosine Adenosine receptor A2a Homo sapiens 1270 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267577&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10021483 104114387 CHEMBL489640 ZINC34095537 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455391 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1 AEOCPQUDPJKEQV-NNBIHLJJSA-N 50267578 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofuranosyl)adenine::CHEMBL490250 Adenosine receptor A2a Homo sapiens 797 ChEMBL 10.1021/jm801456g 10.7270/Q2C8296Z 19317449 Franchetti, P; Cappellacci, L; Vita, P; Petrelli, R; Lavecchia, A; Kachler, S; Klotz, KN; Marabese, I; Luongo, L; Maione, S; Grifantini, M University of Camerino http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50267578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50267578&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44582726 104114388 CHEMBL490250 ZINC40950072 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451088 O=C(Cc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C22H23N7O2/c30-18(14-15-8-3-1-4-9-15)24-21-26-20(23-16-10-5-2-6-11-16)27-22-25-19(28-29(21)22)17-12-7-13-31-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,23,24,25,26,27,28,30) FLEMRKBTYOJIRL-UHFFFAOYSA-N 50137529 CHEMBL3754417 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137529 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137529&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035805 104027674 CHEMBL3754417 ZINC29329952 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451089 O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31) XDBHEXCFNGFAMS-UHFFFAOYSA-N 50137530 CHEMBL3753079 Adenosine receptor A2a Homo sapiens 5.4 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137530 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137530&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035806 104027675 CHEMBL3753079 ZINC29329933 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451090 C1CCC(CC1)Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C20H20N6O2/c1-3-8-14(9-4-1)21-18-23-20(28-15-10-5-2-6-11-15)24-19-22-17(25-26(18)19)16-12-7-13-27-16/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23,24,25) BODOXDQXJDANSO-UHFFFAOYSA-N 50137531 CHEMBL3753118 Adenosine receptor A2a Homo sapiens 113 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137531&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036640 104027676 CHEMBL3753118 ZINC29332485 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451092 C(Nc1nc(Oc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C21H16N6O2/c1-3-8-15(9-4-1)14-22-19-24-21(29-16-10-5-2-6-11-16)25-20-23-18(26-27(19)20)17-12-7-13-28-17/h1-13H,14H2,(H,22,23,24,25,26) DIMJKIOOMFMVOO-UHFFFAOYSA-N 50137532 CHEMBL3752965 Adenosine receptor A2a Homo sapiens 560 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137532&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036641 104027677 CHEMBL3752965 ZINC29322395 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451093 Fc1ccc(CNc2nc(Oc3ccccc3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H15FN6O2/c22-15-10-8-14(9-11-15)13-23-19-25-21(30-16-5-2-1-3-6-16)26-20-24-18(27-28(19)20)17-7-4-12-29-17/h1-12H,13H2,(H,23,24,25,26,27) OREYFLNDMNRUND-UHFFFAOYSA-N 50137533 CHEMBL3753103 Adenosine receptor A2a Homo sapiens 905 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137533&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036642 104027678 CHEMBL3753103 ZINC29329176 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451108 CNc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C15H19N7O/c1-16-13-19-14(17-10-6-3-2-4-7-10)22-15(20-13)18-12(21-22)11-8-5-9-23-11/h5,8-10H,2-4,6-7H2,1H3,(H2,16,17,18,19,20,21) IGCQNEVNGQSBBH-UHFFFAOYSA-N 50137534 CHEMBL3754333 Adenosine receptor A2a Homo sapiens 143 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137534&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035832 104027679 CHEMBL3754333 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451109 CC(C)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C17H23N7O/c1-11(2)18-15-21-16(19-12-7-4-3-5-8-12)24-17(22-15)20-14(23-24)13-9-6-10-25-13/h6,9-12H,3-5,7-8H2,1-2H3,(H2,18,19,20,21,22,23) GWHGVYPWMAAHQK-UHFFFAOYSA-N 50137535 CHEMBL3753698 Adenosine receptor A2a Homo sapiens 397 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137535&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035833 336952029 CHEMBL3753698 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451110 C1CCC(CC1)Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1 InChI=1S/C20H27N7O/c1-3-8-14(9-4-1)21-18-24-19(22-15-10-5-2-6-11-15)27-20(25-18)23-17(26-27)16-12-7-13-28-16/h7,12-15H,1-6,8-11H2,(H2,21,22,23,24,25,26) VJFXMMSUQDAMEU-UHFFFAOYSA-N 50137536 CHEMBL3753384 Adenosine receptor A2a Homo sapiens 177 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137536 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137536&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035834 336952030 CHEMBL3753384 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451111 C(Nc1nc(NC2CCCCC2)n2nc(nc2n1)-c1ccco1)c1ccccc1 InChI=1S/C21H23N7O/c1-3-8-15(9-4-1)14-22-19-25-20(23-16-10-5-2-6-11-16)28-21(26-19)24-18(27-28)17-12-7-13-29-17/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,22,23,24,25,26,27) CBMMILLJUHOOQT-UHFFFAOYSA-N 50137630 CHEMBL3753690 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137630&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036810 104027773 CHEMBL3753690 ZINC13588515 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451112 CNc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H15N7O/c1-17-14-20-15(18-10-11-6-3-2-4-7-11)23-16(21-14)19-13(22-23)12-8-5-9-24-12/h2-9H,10H2,1H3,(H2,17,18,19,20,21,22) NFFSPNMENJFRJZ-UHFFFAOYSA-N 50137631 CHEMBL3754336 Adenosine receptor A2a Homo sapiens 173 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137631&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036811 104027774 CHEMBL3754336 ZINC13588518 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451113 CC(C)Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H19N7O/c1-12(2)20-16-22-17(19-11-13-7-4-3-5-8-13)25-18(23-16)21-15(24-25)14-9-6-10-26-14/h3-10,12H,11H2,1-2H3,(H2,19,20,21,22,23,24) JAHXLVSZGUHXNI-UHFFFAOYSA-N 50137632 CHEMBL3754718 Adenosine receptor A2a Homo sapiens 394 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137632&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036812 104027775 CHEMBL3754718 ZINC13588510 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451114 Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21) BCJLRYNWJFOABF-UHFFFAOYSA-N 50137528 CHEMBL3752514 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137528 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137528&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9839545 104027673 CHEMBL3752514 ZINC29326453 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451115 Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20) KTRATDJORYAFKA-UHFFFAOYSA-N 50137527 CHEMBL3752431 Adenosine receptor A2a Homo sapiens 3.6 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137527 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137527&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15729970 336952028 CHEMBL3752431 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451116 CC(C)Nc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C11H13N7O/c1-6(2)13-10-15-9(12)18-11(16-10)14-8(17-18)7-4-3-5-19-7/h3-6H,1-2H3,(H3,12,13,14,15,16,17) JVNIUHAVIAHYCZ-UHFFFAOYSA-N 50137526 CHEMBL3754099 Adenosine receptor A2a Homo sapiens 65 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137526 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137526&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15729977 336952027 CHEMBL3754099 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451117 CNc1nc(N)n2nc(nc2n1)-c1ccco1 InChI=1S/C9H9N7O/c1-11-8-13-7(10)16-9(14-8)12-6(15-16)5-3-2-4-17-5/h2-4H,1H3,(H3,10,11,12,13,14,15) WUGXJMXVHUVBQK-UHFFFAOYSA-N 50137525 CHEMBL3752868 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137525 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137525&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036437 336952026 CHEMBL3752868 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451153 C(Nc1nc(NCc2ccccc2)n2nc(nc2n1)-c1ccco1)c1ccccc1 InChI=1S/C22H19N7O/c1-3-8-16(9-4-1)14-23-20-26-21(24-15-17-10-5-2-6-11-17)29-22(27-20)25-19(28-29)18-12-7-13-30-18/h1-13H,14-15H2,(H2,23,24,25,26,27,28) VWEYZPFNBQUCID-UHFFFAOYSA-N 50137633 CHEMBL3754573 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137633&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036844 104027776 CHEMBL3754573 ZINC03817243 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451154 CNc1nc(NCc2ccc(F)cc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H14FN7O/c1-18-14-21-15(19-9-10-4-6-11(17)7-5-10)24-16(22-14)20-13(23-24)12-3-2-8-25-12/h2-8H,9H2,1H3,(H2,18,19,20,21,22,23) MXCUPECTZIYFES-UHFFFAOYSA-N 50137634 CHEMBL3752753 Adenosine receptor A2a Homo sapiens 235 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137634&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036845 104027777 CHEMBL3752753 ZINC13588529 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451155 Fc1ccc(CNc2nc(NC3CCCCC3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C21H22FN7O/c22-15-10-8-14(9-11-15)13-23-20-26-19(24-16-5-2-1-3-6-16)27-21-25-18(28-29(20)21)17-7-4-12-30-17/h4,7-12,16H,1-3,5-6,13H2,(H2,23,24,25,26,27,28) MFDDHVJCVCVPIP-UHFFFAOYSA-N 50137635 CHEMBL3754124 Adenosine receptor A2a Homo sapiens 112 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137635&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036846 104027778 CHEMBL3754124 ZINC53257702 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451156 Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(nn23)-c2ccco2)cc1 InChI=1S/C22H18FN7O/c23-17-10-8-16(9-11-17)14-25-21-27-20(24-13-15-5-2-1-3-6-15)28-22-26-19(29-30(21)22)18-7-4-12-31-18/h1-12H,13-14H2,(H2,24,25,26,27,28,29) PKKYZWGIYWKCJR-UHFFFAOYSA-N 50137636 CHEMBL3752432 Adenosine receptor A2a Homo sapiens 22 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137636&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036976 104027779 CHEMBL3752432 ZINC13588525 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50451157 Fc1ccc(CNc2nc(NCc3ccc(F)cc3)n3nc(nc3n2)-c2ccco2)cc1 InChI=1S/C22H17F2N7O/c23-16-7-3-14(4-8-16)12-25-20-28-21(26-13-15-5-9-17(24)10-6-15)31-22(29-20)27-19(30-31)18-2-1-11-32-18/h1-11H,12-13H2,(H2,25,26,27,28,29,30) AUVBDTQCKUVYRW-UHFFFAOYSA-N 50137637 CHEMBL3754080 Adenosine receptor A2a Homo sapiens 44 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137637&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036977 104027780 CHEMBL3754080 ZINC13588528 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458879 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1 InChI=1S/C22H20N4O4/c1-25-18-12-17(24-19(18)20(27)26(2)22(25)29)15-10-8-14(9-11-15)13-30-21(28)23-16-6-4-3-5-7-16/h3-12,24H,13H2,1-2H3,(H,23,28) COBHXZIKLYWMLS-UHFFFAOYSA-N 50258620 CHEMBL512290::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate Adenosine receptor A2a Homo sapiens 34.7 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258620&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574117 104109248 CHEMBL512290 ZINC40896956 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458880 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C22H19FN4O4/c1-26-18-11-17(25-19(18)20(28)27(2)22(26)30)14-5-3-13(4-6-14)12-31-21(29)24-16-9-7-15(23)8-10-16/h3-11,25H,12H2,1-2H3,(H,24,29) XOGGWMKIGUYGPC-UHFFFAOYSA-N 50258621 CHEMBL469119::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-4-fluorophenylcarbamate Adenosine receptor A2a Homo sapiens 72.4 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258621&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574118 104109249 CHEMBL469119 ZINC40395321 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458881 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1 InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26) CRYQUEMGJRNSNJ-UHFFFAOYSA-N 50258672 CHEMBL513681::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate Adenosine receptor A2a Homo sapiens 10.5 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574165 104109296 CHEMBL513681 ZINC40394815 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458882 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1 InChI=1S/C20H18N4O4S/c1-23-15-10-14(21-17(15)18(25)24(2)20(23)27)13-7-5-12(6-8-13)11-28-19(26)22-16-4-3-9-29-16/h3-10,21H,11H2,1-2H3,(H,22,26) ZTRBFDUAYZURAP-UHFFFAOYSA-N 50258673 CHEMBL468295::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-2-ylcarbamate Adenosine receptor A2a Homo sapiens 15.1 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258673&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574166 104109297 CHEMBL468295 ZINC40881085 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458883 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccccn2)cc1 InChI=1S/C21H19N5O4/c1-25-16-11-15(23-18(16)19(27)26(2)21(25)29)14-8-6-13(7-9-14)12-30-20(28)24-17-5-3-4-10-22-17/h3-11,23H,12H2,1-2H3,(H,22,24,28) HESPWNZEAPUVKI-UHFFFAOYSA-N 50258674 CHEMBL468296::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl pyridin-2-ylcarbamate Adenosine receptor A2a Homo sapiens 490 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258674&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574167 104109298 CHEMBL468296 ZINC40881089 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458884 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccco2)cc1 InChI=1S/C20H18N4O5/c1-23-15-10-14(21-17(15)18(25)24(2)20(23)27)13-7-5-12(6-8-13)11-29-19(26)22-16-4-3-9-28-16/h3-10,21H,11H2,1-2H3,(H,22,26) DHQDIUVNRWLRII-UHFFFAOYSA-N 50258675 CHEMBL468506::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl furan-2-ylcarbamate Adenosine receptor A2a Homo sapiens 18.2 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258675&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574168 104109299 CHEMBL468506 ZINC40879552 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458885 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C26H27N5O4/c1-28-22-16-21(27-23(22)24(32)29(2)25(28)33)19-10-8-18(9-11-19)17-35-26(34)31-14-12-30(13-15-31)20-6-4-3-5-7-20/h3-11,16,27H,12-15,17H2,1-2H3 YWUJCPSADGKYGD-UHFFFAOYSA-N 50258706 CHEMBL513135::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-phenylpiperazine-1-carboxylate Adenosine receptor A2a Homo sapiens 132 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258706&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574191 104109325 CHEMBL513135 ZINC40880828 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458886 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)N2CCc3ccccc3C2)cc1 InChI=1S/C25H24N4O4/c1-27-21-13-20(26-22(21)23(30)28(2)24(27)31)18-9-7-16(8-10-18)15-33-25(32)29-12-11-17-5-3-4-6-19(17)14-29/h3-10,13,26H,11-12,14-15H2,1-2H3 VSSYIBSAPKWPMX-UHFFFAOYSA-N 50258707 CHEMBL469136::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl-3,4-dihydroisoquinoline-2(1H)-carboxylate Adenosine receptor A2a Homo sapiens 43.7 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258707&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574192 104109326 CHEMBL469136 ZINC40896981 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458887 Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)NCc2ccccc2)cc1 InChI=1S/C23H22N4O4/c1-26-19-12-18(25-20(19)21(28)27(2)23(26)30)17-10-8-16(9-11-17)14-31-22(29)24-13-15-6-4-3-5-7-15/h3-12,25H,13-14H2,1-2H3,(H,24,29) YZEXEMPZEBDEMA-UHFFFAOYSA-N 50258708 CHEMBL511714::[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl benzylcarbamate Adenosine receptor A2a Homo sapiens 1000 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258708&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574193 104109327 CHEMBL511714 ZINC40394461 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458888 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1 InChI=1S/C26H28N4O4/c1-3-14-29-22-16-21(28-23(22)24(31)30(15-4-2)26(29)33)19-12-10-18(11-13-19)17-34-25(32)27-20-8-6-5-7-9-20/h5-13,16,28H,3-4,14-15,17H2,1-2H3,(H,27,32) DUUGGDGHFBNLHS-UHFFFAOYSA-N 50258709 CHEMBL466021::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate Adenosine receptor A2a Homo sapiens 28.8 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258709&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574194 104109328 CHEMBL466021 ZINC40880201 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458889 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccc(F)cc2)cc1 InChI=1S/C26H27FN4O4/c1-3-13-30-22-15-21(29-23(22)24(32)31(14-4-2)26(30)34)18-7-5-17(6-8-18)16-35-25(33)28-20-11-9-19(27)10-12-20/h5-12,15,29H,3-4,13-14,16H2,1-2H3,(H,28,33) NSUAESZFZHYVHU-UHFFFAOYSA-N 50258734 CHEMBL512276::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-fluorophenylcarbamate Adenosine receptor A2a Homo sapiens 118 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258734&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574222 104109346 CHEMBL512276 ZINC40875952 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458890 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1 InChI=1S/C24H26N4O4S/c1-3-10-27-20-13-19(26-21(20)22(29)28(11-4-2)24(27)31)17-7-5-16(6-8-17)14-32-23(30)25-18-9-12-33-15-18/h5-9,12-13,15,26H,3-4,10-11,14H2,1-2H3,(H,25,30) ZJTIXYQQMNXUGZ-UHFFFAOYSA-N 50258735 CHEMBL468306::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate Adenosine receptor A2a Homo sapiens 3311 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258735&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574223 104109347 CHEMBL468306 ZINC40395248 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458891 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cccs2)cc1 InChI=1S/C24H26N4O4S/c1-3-11-27-19-14-18(25-21(19)22(29)28(12-4-2)24(27)31)17-9-7-16(8-10-17)15-32-23(30)26-20-6-5-13-33-20/h5-10,13-14,25H,3-4,11-12,15H2,1-2H3,(H,26,30) ZIVCMLMRRUTDPN-UHFFFAOYSA-N 50258736 CHEMBL467270::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-2-ylcarbamate Adenosine receptor A2a Homo sapiens 2240 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258736&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574224 104109348 CHEMBL467270 ZINC40876616 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458892 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2cnccn2)cc1 InChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-21(19)22(31)30(12-4-2)24(29)33)17-7-5-16(6-8-17)15-34-23(32)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,32) FBWGREMSYFZWFR-UHFFFAOYSA-N 50258737 CHEMBL467271::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl pyrazin-2-ylcarbamate Adenosine receptor A2a Homo sapiens 35.5 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258737&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574225 104109349 CHEMBL467271 ZINC40394550 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458893 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccon2)cc1 InChI=1S/C23H25N5O5/c1-3-10-27-18-13-17(24-20(18)21(29)28(11-4-2)23(27)31)16-7-5-15(6-8-16)14-32-22(30)25-19-9-12-33-26-19/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,26,30) LXNNIFUVBOKDQQ-UHFFFAOYSA-N 50258762 CHEMBL466035::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl isoxazol-3-ylcarbamate Adenosine receptor A2a Homo sapiens 21.9 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258762&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574251 104109371 CHEMBL466035 ZINC40874856 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458894 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)Nc2ccn[nH]2)cc1 InChI=1S/C23H26N6O4/c1-3-11-28-18-13-17(25-20(18)21(30)29(12-4-2)23(28)32)16-7-5-15(6-8-16)14-33-22(31)26-19-9-10-24-27-19/h5-10,13,25H,3-4,11-12,14H2,1-2H3,(H2,24,26,27,31) CEGVPHFDDXVRAO-UHFFFAOYSA-N 50258763 CHEMBL466453::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 1H-pyrazol-3-ylcarbamate Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258763&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574252 104109372 CHEMBL466453 ZINC40880789 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458895 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccccc2)cc1 InChI=1S/C30H35N5O4/c1-3-14-34-26-20-25(31-27(26)28(36)35(15-4-2)29(34)37)23-12-10-22(11-13-23)21-39-30(38)33-18-16-32(17-19-33)24-8-6-5-7-9-24/h5-13,20,31H,3-4,14-19,21H2,1-2H3 VDNHKEMALVLRBM-UHFFFAOYSA-N 50258764 CHEMBL466652::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-phenylpiperazine-1-carboxylate Adenosine receptor A2a Homo sapiens 447 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258764&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574253 104109373 CHEMBL466652 ZINC40877017 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458896 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 InChI=1S/C30H34ClN5O4/c1-3-12-35-26-19-25(32-27(26)28(37)36(13-4-2)29(35)38)22-10-8-21(9-11-22)20-40-30(39)34-16-14-33(15-17-34)24-7-5-6-23(31)18-24/h5-11,18-19,32H,3-4,12-17,20H2,1-2H3 SSIOBYFRODJHEE-UHFFFAOYSA-N 50258765 CHEMBL452454::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-(3-chlorophenyl)piperazine-1-carboxylate Adenosine receptor A2a Homo sapiens 28.2 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574254 104109374 CHEMBL452454 ZINC44351725 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50458897 CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(COC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 InChI=1S/C30H34FN5O4/c1-3-13-35-26-19-25(32-27(26)28(37)36(14-4-2)29(35)38)22-7-5-21(6-8-22)20-40-30(39)34-17-15-33(16-18-34)24-11-9-23(31)10-12-24/h5-12,19,32H,3-4,13-18,20H2,1-2H3 JAKXALAHCLXZAI-UHFFFAOYSA-N 50258805 CHEMBL466828::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate Adenosine receptor A2a Homo sapiens 50.1 ChEMBL 10.1016/j.bmc.2009.03.062 10.7270/Q2Q81D07 19398343 Fernandez, F; Caamano, O; Isabel Nieto, M; Lopez, C; Garcia-Mera, X; Stefanachi, A; Nicolotti, O; Isabel Loza, M; Brea, J; Esteve, C; Segarra, V; Vidal, B; Carotti, A Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50258805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50258805&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44574281 104109401 CHEMBL466828 ZINC44405095 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454691 O=c1n(nc2c(NC3CCCCC3)nc3ncccc3n12)-c1ccccc1 InChI=1S/C20H20N6O/c27-20-25-16-12-7-13-21-17(16)23-18(22-14-8-3-1-4-9-14)19(25)24-26(20)15-10-5-2-6-11-15/h2,5-7,10-14H,1,3-4,8-9H2,(H,21,22,23) JIBITRQNBXVGNX-UHFFFAOYSA-N 50257025 4-(cyclohexylamino)-2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1(2H)-one::CHEMBL473648 Adenosine receptor A2a Homo sapiens 211 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257025&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42626002 104108309 CHEMBL473648 ZINC40901507 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454692 O=c1n(nc2c(NC3CCCC3)nc3ncccc3n12)-c1ccccc1 InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22) NWDKFYOWSMUWPD-UHFFFAOYSA-N 50257026 4-(cyclopentylamino)-2-phenylpyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-1(2H)-one::CHEMBL473649 Adenosine receptor A2a Homo sapiens 208 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257026&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42626003 104108310 CHEMBL473649 ZINC40901510 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454693 O=C(Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1 InChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-18-19-25-27(15-10-5-2-6-11-15)21(29)26(19)16-12-7-13-22-17(16)23-18/h1-13H,(H,22,23,24,28) AAGFKZWKWAMJNP-UHFFFAOYSA-N 50257028 CHEMBL473650::N-(1-oxo-2-phenyl-1,2-dihydropyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)benzamide Adenosine receptor A2a Homo sapiens 2240 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257028&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42626004 104108312 CHEMBL473650 ZINC40913527 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454694 O=C(Cc1ccccc1)Nc1nc2ncccc2n2c1nn(-c1ccccc1)c2=O InChI=1S/C22H16N6O2/c29-18(14-15-8-3-1-4-9-15)24-20-21-26-28(16-10-5-2-6-11-16)22(30)27(21)17-12-7-13-23-19(17)25-20/h1-13H,14H2,(H,23,24,25,29) PWWAJFDRORIJNJ-UHFFFAOYSA-N 50257072 CHEMBL473839::N-(1-oxo-2-phenyl-1,2-dihydropyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)-2-phenylacetamide Adenosine receptor A2a Homo sapiens 208 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50257072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50257072&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 42626220 104108336 CHEMBL473839 ZINC40405952 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454715 Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N 10847 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3-dimethyl-7H-purine-2,6-dione::Afonilum::Aminophyllin::Aminophylline::CHEMBL190::Cardophyllin::Euphylline::Theophy-lline::Theophylline::Theophylline (1,3-dimethylxanthine) Adenosine receptor A2a Homo sapiens 7900 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10847&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search TEP 7VRM,3ROX,1EHT,5MZJ,8D28,7VRK,4EOH,1O15,6ICO,6TUZ,2A3A 2153 46511424 28177 CHEMBL190 DB00277 413 C07130 ZINC18043251 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50454718 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 260 ChEMBL 10.1021/jm8014876 10.7270/Q2X63MVV 19301821 Colotta, V; Lenzi, O; Catarzi, D; Varano, F; Filacchioni, G; Martini, C; Trincavelli, L; Ciampi, O; Pugliese, AM; Traini, C; Pedata, F; Morizzo, E; Moro, S Universita di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450453 CC(C)Nc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C19H19N7O2/c1-12(2)20-17-23-18(21-15(27)11-13-7-4-3-5-8-13)26-19(24-17)22-16(25-26)14-9-6-10-28-14/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23,24,25,27) DDBNUUGAISIDIP-UHFFFAOYSA-N 50137515 CHEMBL3752488 Adenosine receptor A2a Homo sapiens 393 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137515 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137515&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035804 336952016 CHEMBL3752488 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450454 CNc1nc(NC(=O)Cc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C17H15N7O2/c1-18-15-21-16(19-13(25)10-11-6-3-2-4-7-11)24-17(22-15)20-14(23-24)12-8-5-9-26-12/h2-9H,10H2,1H3,(H2,18,19,20,21,22,23,25) UIJTUNGBZZGOBB-UHFFFAOYSA-N 50137516 CHEMBL3754704 Adenosine receptor A2a Homo sapiens 300 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137516 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137516&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035803 336952017 CHEMBL3754704 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450455 O=C(Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C22H17N7O2/c30-19(16-10-5-2-6-11-16)25-22-27-20(23-14-15-8-3-1-4-9-15)26-21-24-18(28-29(21)22)17-12-7-13-31-17/h1-13H,14H2,(H2,23,24,25,26,27,28,30) WCSVRVISKLMGQV-UHFFFAOYSA-N 50137517 CHEMBL3752342 Adenosine receptor A2a Homo sapiens 95 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137517&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036933 336952018 CHEMBL3752342 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450456 O=C(Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1)c1ccccc1 InChI=1S/C21H21N7O2/c29-18(14-8-3-1-4-9-14)24-21-26-19(22-15-10-5-2-6-11-15)25-20-23-17(27-28(20)21)16-12-7-13-30-16/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H2,22,23,24,25,26,27,29) TVJWAQDNHMFKFF-UHFFFAOYSA-N 50137518 CHEMBL3752421 Adenosine receptor A2a Homo sapiens 1020 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137518&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036742 336952019 CHEMBL3752421 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450457 CC(C)Nc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H17N7O2/c1-11(2)19-16-22-17-20-14(13-9-6-10-27-13)24-25(17)18(23-16)21-15(26)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,19,20,21,22,23,24,26) BUASTGDZJIEJAC-UHFFFAOYSA-N 50137519 CHEMBL3754760 Adenosine receptor A2a Homo sapiens 2150 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137519&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036741 336952020 CHEMBL3754760 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450458 CNc1nc(NC(=O)c2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H13N7O2/c1-17-14-20-15-18-12(11-8-5-9-25-11)22-23(15)16(21-14)19-13(24)10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24) HFNKEYSOOSBXSY-UHFFFAOYSA-N 50137520 CHEMBL3753604 Adenosine receptor A2a Homo sapiens 194 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137520&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036740 336952021 CHEMBL3753604 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450459 O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1 InChI=1S/C22H18N8O2/c31-22(24-16-10-5-2-6-11-16)28-21-27-19(23-14-15-8-3-1-4-9-15)26-20-25-18(29-30(20)21)17-12-7-13-32-17/h1-13H,14H2,(H3,23,24,25,26,27,28,29,31) BKGGNZPNCWNCBQ-UHFFFAOYSA-N 50137521 CHEMBL3752621 Adenosine receptor A2a Homo sapiens 1.4 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137521 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137521&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035626 336952022 CHEMBL3752621 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450460 O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1 InChI=1S/C21H22N8O2/c30-21(23-15-10-5-2-6-11-15)27-20-26-18(22-14-8-3-1-4-9-14)25-19-24-17(28-29(19)20)16-12-7-13-31-16/h2,5-7,10-14H,1,3-4,8-9H2,(H3,22,23,24,25,26,27,28,30) PBXFOUQUQNIFAX-UHFFFAOYSA-N 50137522 CHEMBL3753012 Adenosine receptor A2a Homo sapiens 7.9 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137522 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137522&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035625 336952023 CHEMBL3753012 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450461 CC(C)Nc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C18H18N8O2/c1-11(2)19-15-22-16-21-14(13-9-6-10-28-13)25-26(16)17(23-15)24-18(27)20-12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,19,20,21,22,23,24,25,27) UDOOWYNSRLPYAH-UHFFFAOYSA-N 50137523 CHEMBL3754685 Adenosine receptor A2a Homo sapiens 87 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137523 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137523&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127035624 336952024 CHEMBL3754685 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450462 CNc1nc(NC(=O)Nc2ccccc2)n2nc(nc2n1)-c1ccco1 InChI=1S/C16H14N8O2/c1-17-13-20-14-19-12(11-8-5-9-26-11)23-24(14)15(21-13)22-16(25)18-10-6-3-2-4-7-10/h2-9H,1H3,(H3,17,18,19,20,21,22,23,25) ZATUCPRBMVYFLY-UHFFFAOYSA-N 50137524 CHEMBL3754353 Adenosine receptor A2a Homo sapiens 100 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50137524 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50137524&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127036438 336952025 CHEMBL3754353 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450622 Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 InChI=1S/C17H14N6/c18-15-14-17(20-16(19-15)13-9-5-2-6-10-13)23(22-21-14)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20) MYSWGJASKRUDKS-UHFFFAOYSA-N 50276243 3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::CHEMBL471614 Adenosine receptor A2a Homo sapiens 147 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276243 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276243&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10063481 104119473 CHEMBL471614 ZINC13589733 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450623 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1 InChI=1S/C21H18N6O/c28-21(16-11-12-16)24-19-17-20(23-18(22-19)15-9-5-2-6-10-15)27(26-25-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23,24,28) WSMWGDVMRLIBMG-UHFFFAOYSA-N 50276707 CHEMBL458346::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)cyclopropanecarboxamide Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276707&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590773 104119751 CHEMBL458346 ZINC40863605 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450624 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CCC1 InChI=1S/C22H20N6O/c29-22(17-12-7-13-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,23,24,25,29) ZTUKRFQGSSQYMK-UHFFFAOYSA-N 50276769 CHEMBL514399::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)cyclobutanecarboxamide Adenosine receptor A2a Homo sapiens 119 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590830 104119779 CHEMBL514399 ZINC40860046 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450625 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1cccs1 InChI=1S/C22H16N6OS/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29) SNIUMEAFFOTCJB-UHFFFAOYSA-N 50276772 CHEMBL456011::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thiophene-2-carboxamide Adenosine receptor A2a Homo sapiens 305 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276772&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590832 104119782 CHEMBL456011 ZINC40847997 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450626 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccco1 InChI=1S/C22H16N6O2/c29-22(17-12-7-13-30-17)25-20-18-21(24-19(23-20)16-10-5-2-6-11-16)28(27-26-18)14-15-8-3-1-4-9-15/h1-13H,14H2,(H,23,24,25,29) VXGZBOSUACBNQN-UHFFFAOYSA-N 50276866 CHEMBL517097::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)furan-2-carboxamide Adenosine receptor A2a Homo sapiens 573 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276866&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590914 104119805 CHEMBL517097 ZINC40862718 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450627 O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)c1ccoc1 InChI=1S/C22H16N6O2/c29-22(17-11-12-30-14-17)25-20-18-21(24-19(23-20)16-9-5-2-6-10-16)28(27-26-18)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,23,24,25,29) OAYBQPUDGNXPCF-UHFFFAOYSA-N 50276867 CHEMBL459772::N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)furan-3-carboxamide Adenosine receptor A2a Homo sapiens 161 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276867&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590915 104119806 CHEMBL459772 ZINC40393265 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450628 Nc1ccccc1C(=O)Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 InChI=1S/C24H19N7O/c25-19-14-8-7-13-18(19)24(32)28-22-20-23(27-21(26-22)17-11-5-2-6-12-17)31(30-29-20)15-16-9-3-1-4-10-16/h1-14H,15,25H2,(H,26,27,28,32) BNDHVTSLDFBAQM-UHFFFAOYSA-N 50276162 2-amino-N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)benzamide::CHEMBL469760 Adenosine receptor A2a Homo sapiens 297 ChEMBL 10.1016/j.bmc.2009.01.060 10.7270/Q2JD4WPZ 19230680 Giorgi, I; Leonardi, M; Pietra, D; Biagi, G; Borghini, A; Massarelli, I; Ciampi, O; Bianucci, AM Università di Pisa http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50276162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50276162&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44590292 104119435 CHEMBL469760 ZINC40896644 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50452842 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50452843 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A2a Homo sapiens 325 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50452844 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A2a Homo sapiens 246 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50452845 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1 InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18) XXEHHKXNADFXES-UHFFFAOYSA-N 50138722 CHEMBL3754656 Adenosine receptor A2a Homo sapiens 115 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138722 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138722&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11231509 85499377 CHEMBL3754656 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50452846 Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-17-16-15(20-18(21-17)14-9-5-2-6-10-14)12-23(22-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) JUMNPIKDLASLQF-UHFFFAOYSA-N 50138466 CHEMBL3753937 Adenosine receptor A2a Homo sapiens 300 ChEMBL 10.1016/j.ejmech.2015.11.015 10.7270/Q2NK3GWZ 26638043 Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Falsini, M; Vincenzi, F; Ravani, A; Ciancetta, A; Varani, K; Moro, S; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138466&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44365461 85539103 CHEMBL3753937 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450792 Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15) PKVBGKUACUZPER-UHFFFAOYSA-N 50094701 2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine::2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine::CHEMBL342059 Adenosine receptor A2a Homo sapiens 2.8 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50094701 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50094701&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10587109 103992577 CHEMBL342059 ZINC13672019 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50450835 Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27) OPNAVJJOJBREBM-UHFFFAOYSA-N 50109461 1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea::1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea::CHEMBL324735::MRE 3046F20 Adenosine receptor A2a Homo sapiens 381 ChEMBL 10.1016/j.ejmech.2015.12.019 10.7270/Q22R3THM 26717203 Federico, S; Ciancetta, A; Porta, N; Redenti, S; Pastorin, G; Cacciari, B; Klotz, KN; Moro, S; Spalluto, G Universit£ di Trieste http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50109461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50109461&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 9929470 104004411 CHEMBL324735 ZINC13472320 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455159 Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 InChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25) YFALKJSXAAGGLK-UHFFFAOYSA-N 50139654 CHEMBL3765387 Adenosine receptor A2a Homo sapiens 836 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139654&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127026187 104029486 CHEMBL3765387 ZINC27871494 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455160 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 InChI=1S/C19H15N5O/c20-19-23-15-9-2-1-8-14(15)17(24-19)18(25)22-11-13-6-3-5-12-7-4-10-21-16(12)13/h1-10H,11H2,(H,22,25)(H2,20,23,24) NAJMQZHVNVHXHN-UHFFFAOYSA-N 50139653 CHEMBL3765818 Adenosine receptor A2a Homo sapiens 1.1 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139653&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127026188 104029485 CHEMBL3765818 ZINC13589559 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455161 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) NKBDQIYAOAYCQN-UHFFFAOYSA-N 50139655 CHEMBL3764083 Adenosine receptor A2a Homo sapiens 0.500000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139655&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127025020 104029487 CHEMBL3764083 ZINC13589548 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455162 Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 InChI=1S/C19H14FN5O/c20-13-6-7-14-15(9-13)24-19(21)25-17(14)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) JHWYFIOMMXUNLT-UHFFFAOYSA-N 50139748 CHEMBL3763717 Adenosine receptor A2a Homo sapiens 0.300000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139748&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127025021 336952325 CHEMBL3763717 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455163 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1 InChI=1S/C19H14FN5O/c20-13-6-7-15-14(9-13)17(25-19(21)24-15)18(26)23-10-12-4-1-3-11-5-2-8-22-16(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) FXEKVOFVBKRJOU-UHFFFAOYSA-N 50139751 CHEMBL3764467 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139751&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127025022 336952326 CHEMBL3764467 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455164 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Cl)c2n1 InChI=1S/C19H14ClN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) PLPSXOGQVXXHEJ-UHFFFAOYSA-N 50139752 CHEMBL3764434::US10138212, Example 91 Adenosine receptor A2a Homo sapiens 3.0 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139752&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444939 336952327 CHEMBL3764434 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455165 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1 InChI=1S/C19H14BrN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) ZGGUPIXOOBTEEK-UHFFFAOYSA-N 50139765 CHEMBL3763830::US10138212, Example 96 Adenosine receptor A2a Homo sapiens 0.700000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139765&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444992 336952328 CHEMBL3763830 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455166 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(I)c2n1 InChI=1S/C19H14IN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) YEWWDZNGTIGCDT-UHFFFAOYSA-N 50139766 CHEMBL3764070 Adenosine receptor A2a Homo sapiens 3.1 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139766&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127025023 336952329 CHEMBL3764070 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455167 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(c2n1)C(F)(F)F InChI=1S/C20H14F3N5O/c21-20(22,23)14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28) VNFYEAXYLYCUEQ-UHFFFAOYSA-N 50139767 CHEMBL3763199::US10138212, Example 92 Adenosine receptor A2a Homo sapiens 2.3 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139767&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444991 336952330 CHEMBL3763199 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455168 CSc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5OS/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) DVGQDYYVGLUGNW-UHFFFAOYSA-N 50139768 CHEMBL3763806::US10138212, Example 94 Adenosine receptor A2a Homo sapiens 7.7 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139768&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444941 336952331 CHEMBL3763806 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455169 CS(=O)(=O)c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5O3S/c1-29(27,28)15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) YPBFJYIQXMDNOG-UHFFFAOYSA-N 50139769 CHEMBL3764006::US10138212, Example 95 Adenosine receptor A2a Homo sapiens 86 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139769&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122445001 336952332 CHEMBL3764006 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455170 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(C#N)c2n1 InChI=1S/C20H14N6O/c21-10-13-5-2-8-15-17(13)25-20(22)26-18(15)19(27)24-11-14-6-1-4-12-7-3-9-23-16(12)14/h1-9H,11H2,(H,24,27)(H2,22,25,26) YACYXBXLISLWRE-UHFFFAOYSA-N 50139770 CHEMBL3763571::US10138212, Example 100 Adenosine receptor A2a Homo sapiens 24 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139770&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444930 336952333 CHEMBL3763571 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455171 COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25) QUKCQGCIXGTFIF-UHFFFAOYSA-N 50139771 CHEMBL3765580::US10138212, Example 12 Adenosine receptor A2a Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139771&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444945 336952334 CHEMBL3765580 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455172 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 InChI=1S/C20H14F3N5O2/c21-20(22,23)30-14-8-2-7-13-16(14)27-19(24)28-17(13)18(29)26-10-12-5-1-4-11-6-3-9-25-15(11)12/h1-9H,10H2,(H,26,29)(H2,24,27,28) GVEURWJFYNZAPS-UHFFFAOYSA-N 50139773 CHEMBL3765379::US10138212, Example 101 Adenosine receptor A2a Homo sapiens 0.200000 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139773 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139773&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444974 336952335 CHEMBL3765379 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455173 Cn1nccc1-c1cccc2c(nc(N)nc12)C(=O)NCc1cccc2cccnc12 InChI=1S/C23H19N7O/c1-30-18(10-12-27-30)16-8-3-9-17-20(16)28-23(24)29-21(17)22(31)26-13-15-6-2-5-14-7-4-11-25-19(14)15/h2-12H,13H2,1H3,(H,26,31)(H2,24,28,29) HBBCOXFAYIQYMN-UHFFFAOYSA-N 50139774 CHEMBL3764736 Adenosine receptor A2a Homo sapiens 1035 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139774 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139774&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127038919 336952336 CHEMBL3764736 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455174 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1 InChI=1S/C23H17N7O/c24-23-29-20-17(16-10-25-13-26-11-16)7-2-8-18(20)21(30-23)22(31)28-12-15-5-1-4-14-6-3-9-27-19(14)15/h1-11,13H,12H2,(H,28,31)(H2,24,29,30) KOGRSSNNCJISAU-UHFFFAOYSA-N 50139775 CHEMBL3764945::US10138212, Example 97 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139775&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122444937 336952337 CHEMBL3764945 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455175 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1 InChI=1S/C19H13Cl2N5O/c20-12-7-13-16(14(21)8-12)25-19(22)26-17(13)18(27)24-9-11-4-1-3-10-5-2-6-23-15(10)11/h1-8H,9H2,(H,24,27)(H2,22,25,26) VFXYYNOEPIQROX-UHFFFAOYSA-N 50139776 CHEMBL3764338 Adenosine receptor A2a Homo sapiens 6.6 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139776&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040561 336952338 CHEMBL3764338 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455176 Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1 InChI=1S/C19H13F2N5O/c20-13-7-12-15(8-14(13)21)25-19(22)26-17(12)18(27)24-9-11-4-1-3-10-5-2-6-23-16(10)11/h1-8H,9H2,(H,24,27)(H2,22,25,26) RFBOIDHBCYJRIH-UHFFFAOYSA-N 50139777 CHEMBL3764260 Adenosine receptor A2a Homo sapiens 3.6 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139777&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127038901 336952339 CHEMBL3764260 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455177 Nc1nc(C(=O)NCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C16H13FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,19,22)(H2,18,20,21) FDHGUGPDCVKNFJ-UHFFFAOYSA-N 50139778 CHEMBL3764613 Adenosine receptor A2a Homo sapiens 5.4 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139778&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040562 336952340 CHEMBL3764613 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455178 Nc1nc(C(=O)NCC2CCCCC2)c2cccc(F)c2n1 InChI=1S/C16H19FN4O/c17-12-8-4-7-11-13(12)20-16(18)21-14(11)15(22)19-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)(H2,18,20,21) OPVPJFZOIIIYNM-UHFFFAOYSA-N 50139779 CHEMBL3765526 Adenosine receptor A2a Homo sapiens 45 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139779 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139779&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040563 336952341 CHEMBL3765526 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455179 Cc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)c1 InChI=1S/C17H15FN4O/c1-10-4-2-5-11(8-10)9-20-16(23)15-12-6-3-7-13(18)14(12)21-17(19)22-15/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22) HXRIKMSRKFZFAO-UHFFFAOYSA-N 50139780 CHEMBL3763215 Adenosine receptor A2a Homo sapiens 8.4 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139780 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139780&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040564 336952342 CHEMBL3763215 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455180 Cc1ccccc1CNC(=O)c1nc(N)nc2c(F)cccc12 InChI=1S/C17H15FN4O/c1-10-5-2-3-6-11(10)9-20-16(23)15-12-7-4-8-13(18)14(12)21-17(19)22-15/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22) IORIPXRYROCUAR-UHFFFAOYSA-N 50139781 CHEMBL3764697 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139781 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139781&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127042140 336952343 CHEMBL3764697 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455181 Nc1nc(C(=O)NCCc2ccccn2)c2cccc(F)c2n1 InChI=1S/C16H14FN5O/c17-12-6-3-5-11-13(12)21-16(18)22-14(11)15(23)20-9-7-10-4-1-2-8-19-10/h1-6,8H,7,9H2,(H,20,23)(H2,18,21,22) OWTHFOIINWQHDP-UHFFFAOYSA-N 50139782 CHEMBL3763234 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139782 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139782&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127042141 336952344 CHEMBL3763234 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455182 Nc1nc(C(=O)NCCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C17H15FN4O/c18-13-8-4-7-12-14(13)21-17(19)22-15(12)16(23)20-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,23)(H2,19,21,22) LIVASSWTJBJKEA-UHFFFAOYSA-N 50139785 CHEMBL3764249 Adenosine receptor A2a Homo sapiens 160 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139785&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127042479 104029597 CHEMBL3764249 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455183 C[C@@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m1/s1 SBXPUBIKBOERFX-LLVKDONJSA-N 50139798 CHEMBL3763766::US10138212, Example 88 Adenosine receptor A2a Homo sapiens 6.7 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139798&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122485306 104029610 CHEMBL3763766 ZINC13559436 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455184 C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 InChI=1S/C20H16FN5O/c1-11(13-7-2-5-12-6-4-10-23-16(12)13)24-19(27)18-14-8-3-9-15(21)17(14)25-20(22)26-18/h2-11H,1H3,(H,24,27)(H2,22,25,26)/t11-/m0/s1 SBXPUBIKBOERFX-NSHDSACASA-N 50139800 CHEMBL3763668 Adenosine receptor A2a Homo sapiens 126 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139800&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127038545 104029612 CHEMBL3763668 ZINC04591823 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455185 Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1 InChI=1S/C20H15FN4O/c21-16-10-4-9-15-17(16)24-20(22)25-18(15)19(26)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,26)(H2,22,24,25) MWGFLSPTHRLSKW-UHFFFAOYSA-N 50139804 CHEMBL3765449 Adenosine receptor A2a Homo sapiens 10 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040015 104029616 8768 CHEMBL3765449 7290 ZINC12496506 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455186 Nc1nc(C(=O)NCc2cccc3CCCNc23)c2cccc(F)c2n1 InChI=1S/C19H18FN5O/c20-14-8-2-7-13-16(14)24-19(21)25-17(13)18(26)23-10-12-5-1-4-11-6-3-9-22-15(11)12/h1-2,4-5,7-8,22H,3,6,9-10H2,(H,23,26)(H2,21,24,25) QNAZZEIEVRORQM-UHFFFAOYSA-N 50139806 CHEMBL3764486::US10138212, Example 90 Adenosine receptor A2a Homo sapiens 7.6 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139806&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122485307 336952345 CHEMBL3764486 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455187 Nc1nc(C(=O)NCc2cccc3OCCOc23)c2cccc(F)c2n1 InChI=1S/C18H15FN4O3/c19-12-5-2-4-11-14(12)22-18(20)23-15(11)17(24)21-9-10-3-1-6-13-16(10)26-8-7-25-13/h1-6H,7-9H2,(H,21,24)(H2,20,22,23) CHARXOGFUOHHIQ-UHFFFAOYSA-N 50139810 CHEMBL3763972 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139810&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127040016 104029621 CHEMBL3763972 ZINC03875544 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455188 Nc1nc(C(=O)NCc2cccc3NCCOc23)c2cccc(F)c2n1 InChI=1S/C18H16FN5O2/c19-12-5-2-4-11-14(12)23-18(20)24-15(11)17(25)22-9-10-3-1-6-13-16(10)26-8-7-21-13/h1-6,21H,7-9H2,(H,22,25)(H2,20,23,24) DGCHPJZKYSTJRK-UHFFFAOYSA-N 50139813 CHEMBL3763434::US10138212, Example 84 Adenosine receptor A2a Homo sapiens 22 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139813&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122445018 336952346 CHEMBL3763434 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455189 Nc1nc(C(=O)NCc2cccc3[nH]cnc23)c2cccc(F)c2n1 InChI=1S/C17H13FN6O/c18-11-5-2-4-10-14(11)23-17(19)24-15(10)16(25)20-7-9-3-1-6-12-13(9)22-8-21-12/h1-6,8H,7H2,(H,20,25)(H,21,22)(H2,19,23,24) VYLSCEYEEGPBTA-UHFFFAOYSA-N 50139814 CHEMBL3764397 Adenosine receptor A2a Homo sapiens 25 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139814&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127038566 336952347 CHEMBL3764397 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455190 CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C19H17FN6O/c1-2-26-10-23-15-11(5-3-8-14(15)26)9-22-18(27)17-12-6-4-7-13(20)16(12)24-19(21)25-17/h3-8,10H,2,9H2,1H3,(H,22,27)(H2,21,24,25) LMHRKKARHMUHMN-UHFFFAOYSA-N 50139815 CHEMBL3764687 Adenosine receptor A2a Homo sapiens 3.1 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139815&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041015 336952348 CHEMBL3764687 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455191 Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1 InChI=1S/C18H14FN5O/c19-13-6-2-5-12-15(13)23-18(20)24-16(12)17(25)22-9-11-4-1-3-10-7-8-21-14(10)11/h1-8,21H,9H2,(H,22,25)(H2,20,23,24) KZRLBTMBHBDMRQ-UHFFFAOYSA-N 50139816 CHEMBL3765062 Adenosine receptor A2a Homo sapiens 8.2 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139816&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041016 336952349 CHEMBL3765062 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455192 Nc1nc(C(=O)NCc2cccc3CNC(=O)c23)c2cccc(F)c2n1 InChI=1S/C18H14FN5O2/c19-12-6-2-5-11-14(12)23-18(20)24-15(11)17(26)22-8-10-4-1-3-9-7-21-16(25)13(9)10/h1-6H,7-8H2,(H,21,25)(H,22,26)(H2,20,23,24) FIBSWIHKNWCKJD-UHFFFAOYSA-N 50139817 CHEMBL3765164 Adenosine receptor A2a Homo sapiens 1.8 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139817&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041017 336952350 CHEMBL3765164 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455193 Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-6-3-5-13-16(14)24-19(21)25-17(13)18(26)23-10-11-8-9-22-15-7-2-1-4-12(11)15/h1-9H,10H2,(H,23,26)(H2,21,24,25) BQHGWRPXRSWRDK-UHFFFAOYSA-N 50139818 CHEMBL3765399 Adenosine receptor A2a Homo sapiens 927 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139818&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041018 336952351 CHEMBL3765399 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455194 Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-15-7-3-6-14-16(15)24-19(21)25-17(14)18(26)23-10-12-9-22-8-11-4-1-2-5-13(11)12/h1-9H,10H2,(H,23,26)(H2,21,24,25) RQZUYDYUBHXPNR-UHFFFAOYSA-N 50139819 CHEMBL3764081 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139819&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127038890 336952352 CHEMBL3764081 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455195 Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-7-3-6-13-16(14)24-19(21)25-17(13)18(26)23-10-15-12-5-2-1-4-11(12)8-9-22-15/h1-9H,10H2,(H,23,26)(H2,21,24,25) GPVIWBXVHNPRED-UHFFFAOYSA-N 50139820 CHEMBL3765268::US10138212, Example 89 Adenosine receptor A2a Homo sapiens 6.7 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139820&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 122485308 336952353 CHEMBL3765268 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455196 Nc1nc(C(=O)NCc2ccc3ccccc3n2)c2cccc(F)c2n1 InChI=1S/C19H14FN5O/c20-14-6-3-5-13-16(14)24-19(21)25-17(13)18(26)22-10-12-9-8-11-4-1-2-7-15(11)23-12/h1-9H,10H2,(H,22,26)(H2,21,24,25) LADJNJVHQNUVQZ-UHFFFAOYSA-N 50139821 CHEMBL3764552 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139821&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041019 336952354 CHEMBL3764552 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455197 COc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C20H16FN5O2/c1-28-15-8-9-23-16-11(4-2-5-12(15)16)10-24-19(27)18-13-6-3-7-14(21)17(13)25-20(22)26-18/h2-9H,10H2,1H3,(H,24,27)(H2,22,25,26) VJONUBCNSKUVKZ-UHFFFAOYSA-N 50139830 CHEMBL3763374 Adenosine receptor A2a Homo sapiens 15 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139830&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041635 336952355 CHEMBL3763374 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455198 CCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C21H18FN5O2/c1-2-29-16-9-10-24-17-12(5-3-6-13(16)17)11-25-20(28)19-14-7-4-8-15(22)18(14)26-21(23)27-19/h3-10H,2,11H2,1H3,(H,25,28)(H2,23,26,27) IXOYUGLITMOWAV-UHFFFAOYSA-N 50139831 CHEMBL3764812 Adenosine receptor A2a Homo sapiens 73 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139831&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041636 336952356 CHEMBL3764812 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455199 CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12 InChI=1S/C23H22FN5O2/c1-2-3-12-31-18-10-11-26-19-14(6-4-7-15(18)19)13-27-22(30)21-16-8-5-9-17(24)20(16)28-23(25)29-21/h4-11H,2-3,12-13H2,1H3,(H,27,30)(H2,25,28,29) MLMXORBEZPDELJ-UHFFFAOYSA-N 50139832 CHEMBL3763647 Adenosine receptor A2a Homo sapiens 245 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139832&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041637 336952357 CHEMBL3763647 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455200 Nc1nc(C(=O)NCc2cccc3c(ccnc23)C(=O)N2CCN(CC2)c2ccccc2)c2cccc(F)c2n1 InChI=1S/C30H26FN7O2/c31-24-11-5-10-23-26(24)35-30(32)36-27(23)28(39)34-18-19-6-4-9-21-22(12-13-33-25(19)21)29(40)38-16-14-37(15-17-38)20-7-2-1-3-8-20/h1-13H,14-18H2,(H,34,39)(H2,32,35,36) HXAXJWAXDGSVLG-UHFFFAOYSA-N 50139833 CHEMBL3763829 Adenosine receptor A2a Homo sapiens 1536 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139833&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041638 336952358 CHEMBL3763829 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455201 CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1 InChI=1S/C29H26FN7O2/c1-37(14-6-10-21-9-2-3-13-32-21)28(39)20-15-18-7-4-8-19(24(18)33-17-20)16-34-27(38)26-22-11-5-12-23(30)25(22)35-29(31)36-26/h2-5,7-9,11-13,15,17H,6,10,14,16H2,1H3,(H,34,38)(H2,31,35,36) XFDPYXCMDIVHGP-UHFFFAOYSA-N 50139834 CHEMBL3763871 Adenosine receptor A2a Homo sapiens 12 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139834&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041935 336952359 CHEMBL3763871 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455202 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)NCCCCCc2ccccc2)c2cccc(F)c2n1 InChI=1S/C31H29FN6O2/c32-25-15-8-14-24-27(25)37-31(33)38-28(24)30(40)36-18-22-13-7-12-21-17-23(19-35-26(21)22)29(39)34-16-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,7-10,12-15,17,19H,2,5-6,11,16,18H2,(H,34,39)(H,36,40)(H2,33,37,38) UVHNHXMAXCQYMP-UHFFFAOYSA-N 50139835 CHEMBL3765424 Adenosine receptor A2a Homo sapiens 6.9 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139835&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041936 336952360 CHEMBL3765424 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455203 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1 InChI=1S/C29H23FN6O2/c30-22-11-4-10-21-25(22)34-29(31)35-26(21)27(37)33-15-19-8-3-7-18-14-20(16-32-24(18)19)28(38)36-13-5-9-17-6-1-2-12-23(17)36/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,33,37)(H2,31,34,35) WKZDIXJLBNRISL-UHFFFAOYSA-N 50139836 CHEMBL3763969 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139836&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127042899 336952361 CHEMBL3763969 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455218 COCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1 InChI=1S/C33H32FN7O4/c1-44-16-17-45-25-10-8-24(9-11-25)40-12-14-41(15-13-40)32(43)23-18-21-4-2-5-22(28(21)36-20-23)19-37-31(42)30-26-6-3-7-27(34)29(26)38-33(35)39-30/h2-11,18,20H,12-17,19H2,1H3,(H,37,42)(H2,35,38,39) XPGISRLOZOMIJJ-UHFFFAOYSA-N 50139837 CHEMBL3764598 Adenosine receptor A2a Homo sapiens 4.8 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139837&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127042900 336952362 CHEMBL3764598 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50455286 Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCN(CC2)c2ccccn2)c2cccc(F)c2n1 InChI=1S/C29H25FN8O2/c30-22-8-4-7-21-25(22)35-29(31)36-26(21)27(39)34-16-19-6-3-5-18-15-20(17-33-24(18)19)28(40)38-13-11-37(12-14-38)23-9-1-2-10-32-23/h1-10,15,17H,11-14,16H2,(H,34,39)(H2,31,35,36) WLYOQVKDDTUQHJ-UHFFFAOYSA-N 50139838 CHEMBL3763514 Adenosine receptor A2a Homo sapiens 2.7 ChEMBL 10.1016/j.bmcl.2015.11.048 10.7270/Q2S46TT3 26781932 Zhou, G; Aslanian, R; Gallo, G; Khan, T; Kuang, R; Purakkattle, B; De Ruiz, M; Stamford, A; Ting, P; Wu, H; Wang, H; Xiao, D; Yu, T; Zhang, Y; Mullins, D; Hodgson, R Merck Research Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50139838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50139838&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127041044 336952363 CHEMBL3763514 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471854 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 339 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471855 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A2a Homo sapiens 5754 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471856 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 XSMYYYQVWPZWIZ-IDTAVKCVSA-N 50085658 (2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA)::2-Cl-CPA::2-chloro-N6-cyclopentyladenosine::5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol::CCPA::CHEMBL284969::N6-Cyclopentyl-2-chloroAdo Adenosine receptor A2a Homo sapiens 10000 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50085658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50085658&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 123807 103985068 CHEMBL284969 379 ZINC03995998 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471857 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 19953 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471858 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 InChI=1S/C24H30N6O5/c1-2-25-23(33)20-18(31)19(32)24(35-20)30-13-28-17-21(26-12-27-22(17)30)29-15-9-6-10-16(15)34-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16,18-20,24,31-32H,2,6,9-11H2,1H3,(H,25,33)(H,26,27,29)/t15-,16-,18+,19-,20+,24-/m1/s1 LNEKDIPCQNTTNX-FUWISXPPSA-N 50149598 CHEMBL3770679 Adenosine receptor A2a Homo sapiens 15849 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149598&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 10199066 85597761 CHEMBL3770679 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50471859 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc12 InChI=1S/C17H24N6O5/c1-2-18-16(27)13-11(25)12(26)17(28-13)23-7-21-10-14(19-6-20-15(10)23)22-8-4-3-5-9(8)24/h6-9,11-13,17,24-26H,2-5H2,1H3,(H,18,27)(H,19,20,22)/t8-,9-,11+,12-,13+,17-/m1/s1 UTIVUGWIKOLRER-OPMQXOKZSA-N 50149599 CHEMBL3770310 Adenosine receptor A2a Homo sapiens 5754 ChEMBL 10.1021/acs.jmedchem.5b01402 10.7270/Q2FX7CBN 26756468 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G University of Warwick http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50149599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50149599&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 15272708 85597673 CHEMBL3770310 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50480748 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 JADDQZYHOWSFJD-FLNNQWSLSA-N 21220 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::Adenosine analog, 3::Adenosine, N6-Ethyl-carboxamido::Adenosine-5-(N-ethylcarboxamide)::CHEMBL464859::N-Ethylcarboxamidoadenosine::NECA Adenosine receptor A2a Homo sapiens 37.0 ChEMBL 10.1016/j.bmc.2016.03.006 10.7270/Q2J67JS7 26988801 Waszkielewicz, AM; Gunia-Krzyzak, A; Powroznik, B; Sloczynska, K; Pekala, E; Walczak, M; Bednarski, M; Zeslawska, E; Nitek, W; Marona, H Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21220&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NEC 6D28,2YDV,1YSZ,5G53,6B99,6GDG,1U2O,7XY7 448222 49689293 73284 CHEMBL464859 425 ZINC03995401 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470042 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N 14487 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol::Adenine-beta-D-arabinofuranoside::Adenosine::CHEMBL477::N6-Methylado::[U-14C]adenosine::cid_191::cid_60961 Adenosine receptor A2a Homo sapiens 730 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=14487&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ADN 4LCA,4LC4,3KW2,4IMA,1FMO,6RVZ,7R39,4JKU,4JKS,1Q97,1PG2,2GL0,6FBO,6FBP,4D9H,4O0W,4O0U,4O0S,4PGF,7LD3,5M5K,1XWF,4LBX,4LBG,3REQ,7DCW,6D9H,3UQ6,3F8W,1PK7,5B6I,5US8,7T6F,4CKJ,4CKI,4PFJ,1DGM,1N3Z,4OGR,5M66,4LVC,1WU8,3G1U,1VHW,2EVA,1MRJ,1MRG,1BX4,2C49,8AXZ,4PEV,2A8T,2X1L,3N58,4IP7,2W03,1RMT,2FQY,1LII,1LIK,4PD9,5TDM,6EXI,7O5L,6BQ4,5LW1,5XOO,5KB6,5KB5,3OND,2X0P,2YDO,4ZME,7O5M,3WDM,5TDZ,6SHU,3UBO,7ZD9,5UTU,3QGZ,8HDP,5MVS,2ZBV,2ZBU,8BZV,7LD4,6Y9U,6SO9,5AXA,7BF3,3U40,3UAY,3UAW,8EWY,2JC9,6FEK,5TOW,1YI4,2B82,6F3M,6F3N,4DC3,5A1I,5KM9,5LVN,3GRV,2KQD,2KQE,1MUO,2AC7,2PKM,4K87,4K8P,4K8T,4K8C,4K8K,4X3M,3AY0,6BNI,6WKS,6J5Z,6GBN,1Z37,5HJI,7ZD8,7ZD7,7ZD4,7ZD3,7ZD2,7ZD1,7ZD0,3O1X,3O1C,7F7C,1JDV,1JG2,3VAQ,6NRZ,4K9C,4K9I,4K93,4KBE,3AXZ,2ZGW,7MXC,3O0Q,3H9U,4E3A,5HM8,3OI8,4KTV,3VAS,1ODI,3FUU,2OA1,4XDR,4O8J,7F7D,2DOJ,6APH,1V8B,1D4F,5AQF,5UVM,6UK3,2EJG,2EJF,2B8J,3CE6,5V96,5AQY,6TTP,3QWU,2Q6K,6HXS,1UAY,4UCI,1JG3,4H2F,4H2G,6FCD,6P9V,2PGF,4DTA,4DT8,3ZTV,4KAH,4KAL,4KAN,4KAD,4XJ7,6YMJ,4N09,2Q83,1HO5,7P7F 60961 172097241 16335 CHEMBL477 DB00640 C00212 ZINC02169830 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470045 CCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C12H18N6O3/c1-2-14-3-6-8(19)9(20)12(21-6)18-5-17-7-10(13)15-4-16-11(7)18/h4-6,8-9,12,14,19-20H,2-3H2,1H3,(H2,13,15,16)/t6-,8-,9-,12-/m1/s1 MOZBWPNPQUIIOP-WOUKDFQISA-N 50148580 CHEMBL3770601 Adenosine receptor A2a Homo sapiens 20 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148580&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44345662 85489012 CHEMBL3770601 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470056 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 PAOANWZGLPPROA-RQXXJAGISA-N 35804 (CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmethyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::2-[4-(2-carboxyethyl)-phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-[4-(2-carboxyethyl)phenethylamino]-5''''-N-ethylcarboxamidoadenosine::2-p-(2-carboxyethyl)phenethylamino-5''''-N-ethylcarboxamidoadenosine::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-9H-purin-2-ylamino)ethyl)phenyl)propanoic acid::3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-ylamino]-ethyl}-phenyl)-propionic acid::CGS 21680::CGS-21680::CHEMBL331372::[3H]-CGS 21680 Adenosine receptor A2a Homo sapiens 27 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35804&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search NGI 4UHR,4UG2 3086599 85856597 73283 CHEMBL331372 424 ZINC03918045 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470061 COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)c3n2)CC1 InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1 SQJXTUJMBYVDBB-RQXXJAGISA-N 50148598 ATL-313::DE-112::Evodenoson Adenosine receptor A2a Homo sapiens 0.700000 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148598&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44345213 85487988 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470062 CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 InChI=1S/C18H25N5O4/c1-2-3-4-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(26)14(25)11(9-24)27-18/h10-11,14-15,18,24-26H,2-6,9H2,1H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1 NVGGIHKSKVAPEY-XKLVTHTNSA-N 50453216 2-(l-hexyn-l-yl)adenosine (8, YT-146)::CHEMBL2113496 Adenosine receptor A2a Homo sapiens 32 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50453216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50453216&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 146207 225145887 CHEMBL2113496 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470063 Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CCCCCC#N InChI=1S/C17H20N6O4/c18-7-5-3-1-2-4-6-11-21-15(19)12-16(22-11)23(9-20-12)17-14(26)13(25)10(8-24)27-17/h9-10,13-14,17,24-26H,1-3,5,8H2,(H2,19,21,22)/t10-,13-,14-,17-/m1/s1 XESHLCLROHUHDE-IWCJZZDYSA-N 50148599 CHEMBL3770782 Adenosine receptor A2a Homo sapiens 49 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50148599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50148599&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 44345299 85488188 CHEMBL3770782 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50470064 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 1.6 ChEMBL 10.1021/acs.jmedchem.5b00828 10.7270/Q25M67MM 26356532 Donegan, RK; Lieberman, RL Georgia Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494925 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccco1 InChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20) AQMYJLYXFKJXMD-UHFFFAOYSA-N 50168099 CHEMBL3798766 Adenosine receptor A2a Homo sapiens 6.2 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046493 341104488 CHEMBL3798766 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494926 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1 InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20) WXADNPIZOQQAEO-UHFFFAOYSA-N 50168107 CHEMBL3798754 Adenosine receptor A2a Homo sapiens 11 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168107&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046495 341104496 CHEMBL3798754 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494927 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1 InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) ISSQUAKPAHUUNQ-UHFFFAOYSA-N 50168108 CHEMBL3799351 Adenosine receptor A2a Homo sapiens 4.4 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168108&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046496 341104497 CHEMBL3799351 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494928 COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1 InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) TWUUVOAFXFRSQO-UHFFFAOYSA-N 50168101 CHEMBL3800587 Adenosine receptor A2a Homo sapiens 6.4 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046050 341104490 CHEMBL3800587 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494934 Cc1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15) VCJVBLBICBKOAH-UHFFFAOYSA-N 50427586 CHEMBL2322916 Adenosine receptor A2a Homo sapiens 246 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427586&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601630 164156461 CHEMBL2322916 ZINC95582590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494935 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1 InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20) OSXQTDKHWVGIFS-UHFFFAOYSA-N 50427585 CHEMBL2322917 Adenosine receptor A2a Homo sapiens 325 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427585&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601631 164156460 CHEMBL2322917 ZINC95581129 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494936 Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21) MLXRXENPLDYOCG-UHFFFAOYSA-N 50427584 CHEMBL2322918 Adenosine receptor A2a Homo sapiens 110 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427584&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 71601632 164156459 CHEMBL2322918 ZINC95580878 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494937 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1 InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23) QXNZRRSDCMNJDB-UHFFFAOYSA-N 50055094 CHEMBL3317574 Adenosine receptor A2a Homo sapiens 55 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50055094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50055094&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 118708234 313069868 CHEMBL3317574 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494938 COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1 InChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24) JKHCHBLVGYHBMJ-UHFFFAOYSA-N 50168109 CHEMBL3800301 Adenosine receptor A2a Homo sapiens 647 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168109&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047737 341104498 CHEMBL3800301 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494939 Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1O InChI=1S/C20H19N5O/c21-20-19-15(13-25(24-19)16-10-4-5-11-17(16)26)22-18(23-20)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,26H,6,9,12H2,(H2,21,22,23) UWIQZSRFCFCOGZ-UHFFFAOYSA-N 50168110 CHEMBL3799771 Adenosine receptor A2a Homo sapiens 240 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168110&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047803 341104499 CHEMBL3799771 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494940 Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccco1 InChI=1S/C15H11N5O/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18) GTENTXFTCULQOC-UHFFFAOYSA-N 50168111 CHEMBL3797284 Adenosine receptor A2a Homo sapiens 195 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168111 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168111&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047927 341104500 CHEMBL3797284 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494971 Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(O)c3)cc2n1 InChI=1S/C17H15N5O2/c1-10-5-6-14(24-10)17-19-13-9-22(21-15(13)16(18)20-17)8-11-3-2-4-12(23)7-11/h2-7,9,23H,8H2,1H3,(H2,18,19,20) HJZUMFPLMMDYPJ-UHFFFAOYSA-N 50168106 CHEMBL3800254 Adenosine receptor A2a Homo sapiens 14 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168106&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045910 341104495 CHEMBL3800254 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494972 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3O)cc2n1 InChI=1S/C17H15N5O2/c1-10-6-7-14(24-10)17-19-12-9-22(21-15(12)16(18)20-17)8-11-4-2-3-5-13(11)23/h2-7,9,23H,8H2,1H3,(H2,18,19,20) LEZBSAGRBMBCGD-UHFFFAOYSA-N 50168105 CHEMBL3799921 Adenosine receptor A2a Homo sapiens 38 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168105&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045909 341104494 CHEMBL3799921 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494973 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3Cl)cc2n1 InChI=1S/C17H14ClN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21) BPQMICPWRXHIJI-UHFFFAOYSA-N 50168104 CHEMBL3799848 Adenosine receptor A2a Homo sapiens 6.2 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168104&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045701 341104493 CHEMBL3799848 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494974 Cc1ccc(o1)-c1nc(N)c2nn(Cc3cccc(F)c3)cc2n1 InChI=1S/C17H14FN5O/c1-10-5-6-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-3-2-4-12(18)7-11/h2-7,9H,8H2,1H3,(H2,19,20,21) QGMRAKXTMHZKRI-UHFFFAOYSA-N 50168103 CHEMBL3798214 Adenosine receptor A2a Homo sapiens 51 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168103&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045700 341104492 CHEMBL3798214 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494975 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3F)cc2n1 InChI=1S/C17H14FN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21) BRLCUIOYTLHZJF-UHFFFAOYSA-N 50168102 CHEMBL3797666 Adenosine receptor A2a Homo sapiens 57 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168102&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045699 341104491 CHEMBL3797666 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494976 COc1cccc(Cn2cc3nc(nc(N)c3n2)-c2ccc(C)o2)c1 InChI=1S/C18H17N5O2/c1-11-6-7-15(25-11)18-20-14-10-23(22-16(14)17(19)21-18)9-12-4-3-5-13(8-12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) TWUUVOAFXFRSQO-UHFFFAOYSA-N 50168101 CHEMBL3800587 Adenosine receptor A2a Homo sapiens 5.3 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168101&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046050 341104490 CHEMBL3800587 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494977 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccc(C)o1 InChI=1S/C18H17N5O2/c1-11-7-8-15(25-11)18-20-13-10-23(22-16(13)17(19)21-18)9-12-5-3-4-6-14(12)24-2/h3-8,10H,9H2,1-2H3,(H2,19,20,21) ISSQUAKPAHUUNQ-UHFFFAOYSA-N 50168108 CHEMBL3799351 Adenosine receptor A2a Homo sapiens 3.6 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168108&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046496 341104497 CHEMBL3799351 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494978 Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1 InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20) WXADNPIZOQQAEO-UHFFFAOYSA-N 50168107 CHEMBL3798754 Adenosine receptor A2a Homo sapiens 9.2 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168107&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046495 341104496 CHEMBL3798754 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494979 Nc1nc(nc2cn(Cc3ccccc3O)nc12)-c1ccco1 InChI=1S/C16H13N5O2/c17-15-14-11(18-16(19-15)13-6-3-7-23-13)9-21(20-14)8-10-4-1-2-5-12(10)22/h1-7,9,22H,8H2,(H2,17,18,19) LFQIONJTAIBNFA-UHFFFAOYSA-N 50168100 CHEMBL3798383 Adenosine receptor A2a Homo sapiens 17 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168100&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046494 341104489 CHEMBL3798383 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494980 COc1ccccc1Cn1cc2nc(nc(N)c2n1)-c1ccco1 InChI=1S/C17H15N5O2/c1-23-13-6-3-2-5-11(13)9-22-10-12-15(21-22)16(18)20-17(19-12)14-7-4-8-24-14/h2-8,10H,9H2,1H3,(H2,18,19,20) AQMYJLYXFKJXMD-UHFFFAOYSA-N 50168099 CHEMBL3798766 Adenosine receptor A2a Homo sapiens 5.4 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046493 341104488 CHEMBL3798766 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494981 Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccco1 InChI=1S/C16H13N5O/c17-15-14-12(18-16(19-15)13-7-4-8-22-13)10-21(20-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,18,19) WHRXEWMAKBKKKJ-UHFFFAOYSA-N 50168122 CHEMBL3797324 Adenosine receptor A2a Homo sapiens 320 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168122&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047851 341104511 CHEMBL3797324 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494982 Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1cccs1 InChI=1S/C15H11N5OS/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18) CKHUVQWKDJVMTD-UHFFFAOYSA-N 50168112 CHEMBL3800218 Adenosine receptor A2a Homo sapiens 412 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168112&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127046438 341104501 CHEMBL3800218 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494983 Cc1ccc(o1)-c1nc(N)c2nn(cc2n1)-c1ccccc1O InChI=1S/C16H13N5O2/c1-9-6-7-13(23-9)16-18-10-8-21(20-14(10)15(17)19-16)11-4-2-3-5-12(11)22/h2-8,22H,1H3,(H2,17,18,19) CTQKVUIEYZLYPP-UHFFFAOYSA-N 50168119 CHEMBL3797799 Adenosine receptor A2a Homo sapiens 147 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168119&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047147 341104508 CHEMBL3797799 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494984 COc1ccccc1-n1cc2nc(nc(N)c2n1)-c1ccc(C)o1 InChI=1S/C17H15N5O2/c1-10-7-8-14(24-10)17-19-11-9-22(21-15(11)16(18)20-17)12-5-3-4-6-13(12)23-2/h3-9H,1-2H3,(H2,18,19,20) OUNKKFPKILWORV-UHFFFAOYSA-N 50168120 CHEMBL3799210 Adenosine receptor A2a Homo sapiens 518 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168120&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047146 341104509 CHEMBL3799210 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494985 Cc1ccc(o1)-c1nc(N)c2nn(cc2n1)-c1ccccc1 InChI=1S/C16H13N5O/c1-10-7-8-13(22-10)16-18-12-9-21(11-5-3-2-4-6-11)20-14(12)15(17)19-16/h2-9H,1H3,(H2,17,18,19) NOGCWFVUNZLJDH-UHFFFAOYSA-N 50168113 CHEMBL3797433 Adenosine receptor A2a Homo sapiens 99 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168113&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045815 341104502 CHEMBL3797433 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494986 Nc1nc(nc2cn(nc12)-c1ccccc1O)-c1ccco1 InChI=1S/C15H11N5O2/c16-14-13-9(17-15(18-14)12-6-3-7-22-12)8-20(19-13)10-4-1-2-5-11(10)21/h1-8,21H,(H2,16,17,18) KBVHSEZTMVRCNH-UHFFFAOYSA-N 50168114 CHEMBL3799249 Adenosine receptor A2a Homo sapiens 89 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168114&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047929 341104503 CHEMBL3799249 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50494987 COc1ccccc1-n1cc2nc(nc(N)c2n1)-c1ccco1 InChI=1S/C16H13N5O2/c1-22-12-6-3-2-5-11(12)21-9-10-14(20-21)15(17)19-16(18-10)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18,19) LWSIGDYBASIJSD-UHFFFAOYSA-N 50168123 CHEMBL3797553 Adenosine receptor A2a Homo sapiens 362 ChEMBL 10.1016/j.bmc.2016.04.048 10.7270/Q23X88JC 27161878 Squarcialupi, L; Falsini, M; Catarzi, D; Varano, F; Betti, M; Varani, K; Vincenzi, F; Dal Ben, D; Lambertucci, C; Volpini, R; Colotta, V Universit£ degli Studi di Firenze http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50168123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50168123&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127047928 341104512 CHEMBL3797553 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50487684 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) PWTBZOIUWZOPFT-UHFFFAOYSA-N 21190 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino}ethyl)phenol::CHEMBL113142::ZM 241385::ZM241385::[3H]-ZM241385 Adenosine receptor A2a Homo sapiens 1.9 ChEMBL 10.1021/acs.jmedchem.5b01586 10.7270/Q2QF8VS9 26824742 El Maatougui, A; Azuaje, J; González-Gómez, M; Miguez, G; Crespo, A; Carbajales, C; Escalante, L; García-Mera, X; Gutiérrez-de-Terán, H; Sotelo, E Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21190&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search ZMA 5NLX,5OLG,5NM4,5NM2,6WQA,3EML,5VRA,5JTB,7RM5,4EIY,8FYN,6LPJ,6LPK,6LPL,6JZH,5UVI,3PWH,5IU4,6S0Q,5K2D,5K2B,5K2C,5K2A,3VGA,6PS7,7T32,6MH8,6AQF,3VG9,6S0L 176407 49689263 CHEMBL113142 DB08770 ZINC00005258 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50487685 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) FFBDFADSZUINTG-UHFFFAOYSA-N 21173 1,3-dipropyl-8-cyclopentylxanthine::8-cyclopentyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::CHEMBL183::DPCPX::PD116948::[3H]DPCPX Adenosine receptor A2a Homo sapiens 157 ChEMBL 10.1021/acs.jmedchem.5b01586 10.7270/Q2QF8VS9 26824742 El Maatougui, A; Azuaje, J; González-Gómez, M; Miguez, G; Crespo, A; Carbajales, C; Escalante, L; García-Mera, X; Gutiérrez-de-Terán, H; Sotelo, E Uppsala University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21173&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 1329 49689246 73282 CHEMBL183 406 C13709 ZINC03977757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509233 COCc1cccc(CNC(=O)c2cc(nc(N)n2)-c2ccco2)n1 InChI=1S/C17H17N5O3/c1-24-10-12-5-2-4-11(20-12)9-19-16(23)14-8-13(21-17(18)22-14)15-6-3-7-25-15/h2-8H,9-10H2,1H3,(H,19,23)(H2,18,21,22) MNNAJXPKIBKJNB-UHFFFAOYSA-N 50294501 2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridin-2-yl)methyl)pyrimidine-4-carboxamide::CHEMBL564473 Adenosine receptor A2a Homo sapiens 1.7 ChEMBL 10.1016/j.bmcl.2009.03.142 10.7270/Q2RF5V1M 19362836 Gillespie, RJ; Bamford, SJ; Gaur, S; Jordan, AM; Lerpiniere, J; Mansell, HL; Stratton, GC Vernalis (R+D) Ltd. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294501 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294501&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11739282 104136032 CHEMBL564473 ZINC36377722 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50510359 CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1 InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3 DJMAOAZZXABOFN-UHFFFAOYSA-N 50187588 CHEMBL3827201 Adenosine receptor A2a Homo sapiens 921 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187588&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045170 346534837 CHEMBL3827201 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50510360 CCN(CC)CCOc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1 InChI=1S/C24H34N6O3/c1-5-28(6-2)16-17-33-19-10-8-18(9-11-19)12-15-29-13-7-14-30-20-21(25-23(29)30)26(3)24(32)27(4)22(20)31/h8-11H,5-7,12-17H2,1-4H3 LKZCACKRMPMZHI-UHFFFAOYSA-N 50187589 CHEMBL3827859 Adenosine receptor A2a Homo sapiens 559 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187589&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 46893147 346534838 CHEMBL3827859 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50510361 CCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CC)c1=O InChI=1S/C20H25N5O3/c1-3-23-17-16(18(27)24(4-2)20(23)28)25-12-5-11-22(19(25)21-17)13-10-14-6-8-15(26)9-7-14/h6-9,26H,3-5,10-13H2,1-2H3 ZHLYQXBGJXSGGA-UHFFFAOYSA-N 50187590 CHEMBL3827583 Adenosine receptor A2a Homo sapiens 2180 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187590&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127043662 346534839 CHEMBL3827583 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50510362 CCCCn1c2nc3N(CCc4ccc(OCCN(CC)CC)cc4)CCCn3c2c(=O)n(CCCC)c1=O InChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3 PCGDFXCJWKWRNP-UHFFFAOYSA-N 50187591 CHEMBL3827331 Adenosine receptor A2a Homo sapiens 546 ChEMBL 10.1016/j.bmc.2016.07.028 10.7270/Q2R49SQ5 27485602 Szymanska, E; Drabczynska, A; Karcz, T; Müller, CE; Köse, M; Karolak-Wojciechowska, J; Fruzinski, A; Schabikowski, J; Doroz-Plonka, A; Handzlik, J; Kiec-Kononowicz, K Jagiellonian University Medical College http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50187591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50187591&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127043828 346534840 CHEMBL3827331 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509575 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 21221 (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide::2-Cl-IB-MECA::2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide::C-IBzA-MU::C1-IB-MECA::CHEMBL431733::CI-IB-MECA::Cl-IB-MECA Adenosine receptor A2a Homo sapiens 5400 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21221&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 3035850 49689294 CHEMBL431733 457 ZINC03995845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509576 CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 IRIUFVPPSHYZRM-PFHKOEEOSA-N 50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732 Adenosine receptor A2a Homo sapiens 223 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180197&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11813713 104065330 CHEMBL200732 ZINC28563903 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509577 O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 InChI=1S/C16H15ClIN5O2S/c17-16-21-13(19-5-8-2-1-3-9(18)4-8)11-14(22-16)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 QMJFSSNSVVHFPD-IXPVHAAZSA-N 50214974 (2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)tetrahydrothiophene3,4-diol::(2R,3R,4S)-2-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol::CHEMBL413686 Adenosine receptor A2a Homo sapiens 341 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50214974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50214974&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 16220189 104089791 CHEMBL413686 ZINC28656123 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509578 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 InChI=1S/C16H16FN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 QPLGLUVUMGUTTI-AXAPSJFSSA-N 50294672 (2R,3R,4R)-2-(6-(3-Fluorobenzylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol::CHEMBL564883 Adenosine receptor A2a Homo sapiens 6560 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294672&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45272391 104136203 CHEMBL564883 ZINC43022845 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509579 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 InChI=1S/C16H16ClN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 JMAPHUQNTQHQHG-AXAPSJFSSA-N 50294673 (2R,3R,4R)-2-(6-(3-Chlorobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL564676 Adenosine receptor A2a Homo sapiens 3410 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294673&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45268103 104136204 CHEMBL564676 ZINC43074323 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509580 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 InChI=1S/C16H16BrN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 AMBOYCWPKZEJFM-AXAPSJFSSA-N 50294665 (2R,3R,4R)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL561855 Adenosine receptor A2a Homo sapiens 1400 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294665&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45267243 104136196 CHEMBL561855 ZINC43073757 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509581 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1 DBOWVIYWCSBVDB-AXAPSJFSSA-N 50294666 (2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL549352 Adenosine receptor A2a Homo sapiens 997 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294666&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45269835 104136197 CHEMBL549352 ZINC43019486 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50509582 O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 InChI=1S/C16H15Cl2N5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1 PCYJILZJDFFIPA-IXPVHAAZSA-N 50294667 (2R,3R,4R)-2-(2-Chloro-6-(3-chlorobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL549563 Adenosine receptor A2a Homo sapiens 3630 ChEMBL 10.1016/j.bmc.2009.03.034 10.7270/Q2V69JMJ 19375920 Pal, S; Choi, WJ; Choe, SA; Heller, CL; Gao, ZG; Chinn, M; Jacobson, KA; Hou, X; Lee, SK; Kim, HO; Jeong, LS Ewha Womans University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50294667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50294667&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 45269838 104136198 CHEMBL549563 ZINC43019991 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512821 Clc1ncnc2sc(nc12)N(Cc1ccccc1)C(=S)NCc1ccccc1 InChI=1S/C20H16ClN5S2/c21-17-16-18(24-13-23-17)28-20(25-16)26(12-15-9-5-2-6-10-15)19(27)22-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,27) GMRJTVNCPZHTOX-UHFFFAOYSA-N 50189175 CHEMBL3828590 Adenosine receptor A2a Homo sapiens 1870 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189175&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11539152 346535034 CHEMBL3828590 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512822 Clc1ncnc2sc(NCCN3CCOCC3)nc12 InChI=1S/C11H14ClN5OS/c12-9-8-10(15-7-14-9)19-11(16-8)13-1-2-17-3-5-18-6-4-17/h7H,1-6H2,(H,13,16) PLUPQORAZWHBMV-UHFFFAOYSA-N 50189176 CHEMBL3828675 Adenosine receptor A2a Homo sapiens >100000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189176&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045166 346535035 CHEMBL3828675 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512825 Cc1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C12H9ClN4S/c1-7-2-4-8(5-3-7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17) XJXOZVKBZZJUHT-UHFFFAOYSA-N 50189090 CHEMBL3827748 Adenosine receptor A2a Homo sapiens 4930 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189090&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11608818 346535019 CHEMBL3827748 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512829 Fc1cccc(F)c1Nc1nc2c(Cl)ncnc2s1 InChI=1S/C11H5ClF2N4S/c12-9-8-10(16-4-15-9)19-11(18-8)17-7-5(13)2-1-3-6(7)14/h1-4H,(H,17,18) ZUGXGYFPBNSZEH-UHFFFAOYSA-N 50189062 CHEMBL3828648 Adenosine receptor A2a Homo sapiens 8110 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189062&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045164 346535014 CHEMBL3828648 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512926 [O-][N+](=O)c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1 InChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16) AGBFROYZKVNMRB-UHFFFAOYSA-N 50189060 CHEMBL3828031 Adenosine receptor A2a Homo sapiens >30000 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189060&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 11630922 346535012 CHEMBL3828031 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512928 COc1cc(Nc2nc3c(Cl)ncnc3s2)cc(OC)c1OC InChI=1S/C14H13ClN4O3S/c1-20-8-4-7(5-9(21-2)11(8)22-3)18-14-19-10-12(15)16-6-17-13(10)23-14/h4-6H,1-3H3,(H,18,19) NIQZYMYTVFSKRC-UHFFFAOYSA-N 50189066 CHEMBL3827097 Adenosine receptor A2a Homo sapiens 1050 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189066&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127045165 346535018 CHEMBL3827097 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512930 Clc1ncnc2sc(Nc3cccc(Br)c3)nc12 InChI=1S/C11H6BrClN4S/c12-6-2-1-3-7(4-6)16-11-17-8-9(13)14-5-15-10(8)18-11/h1-5H,(H,16,17) ZHQDCGTZBYXLJT-UHFFFAOYSA-N 50189064 CHEMBL3828047 Adenosine receptor A2a Homo sapiens 2960 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189064&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044785 346535016 CHEMBL3828047 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512932 COc1cc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc(OC)c1OC InChI=1S/C19H23N5O4S/c1-26-13-7-11(8-14(27-2)16(13)28-3)22-19-23-15-17(20-10-21-18(15)29-19)24-6-4-5-12(24)9-25/h7-8,10,12,25H,4-6,9H2,1-3H3,(H,22,23)/t12-/m0/s1 FCQRAGAWNCOGCD-LBPRGKRZSA-N 50189091 CHEMBL3827396 Adenosine receptor A2a Homo sapiens 330 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189091&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127043299 346535020 CHEMBL3827396 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512933 COc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 InChI=1S/C17H19N5O2S/c1-24-13-6-4-11(5-7-13)20-17-21-14-15(18-10-19-16(14)25-17)22-8-2-3-12(22)9-23/h4-7,10,12,23H,2-3,8-9H2,1H3,(H,20,21)/t12-/m0/s1 UTPNFCKIISZMII-LBPRGKRZSA-N 50189054 CHEMBL3828306 Adenosine receptor A2a Homo sapiens 1110 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189054&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044795 104072774 CHEMBL3828306 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512934 OC[C@@H]1CCCN1c1ncnc2sc(Nc3ccc(Cl)cc3)nc12 InChI=1S/C16H16ClN5OS/c17-10-3-5-11(6-4-10)20-16-21-13-14(18-9-19-15(13)24-16)22-7-1-2-12(22)8-23/h3-6,9,12,23H,1-2,7-8H2,(H,20,21)/t12-/m0/s1 OULZDKXPNGIVQB-LBPRGKRZSA-N 50189053 CHEMBL3828238 Adenosine receptor A2a Homo sapiens 466 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189053&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044283 346535006 CHEMBL3828238 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512935 Cc1ccc(Nc2nc3c(ncnc3s2)N2CCC[C@H]2CO)cc1 InChI=1S/C17H19N5OS/c1-11-4-6-12(7-5-11)20-17-21-14-15(18-10-19-16(14)24-17)22-8-2-3-13(22)9-23/h4-7,10,13,23H,2-3,8-9H2,1H3,(H,20,21)/t13-/m0/s1 GCPLTYKAGFKTDB-ZDUSSCGKSA-N 50189056 CHEMBL3828388 Adenosine receptor A2a Homo sapiens 313 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189056&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044515 346535008 CHEMBL3828388 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512936 Cc1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1 InChI=1S/C16H17N5S/c1-11-4-6-12(7-5-11)19-16-20-13-14(21-8-2-3-9-21)17-10-18-15(13)22-16/h4-7,10H,2-3,8-9H2,1H3,(H,19,20) OKEHJXSCMXPKEY-UHFFFAOYSA-N 50189055 CHEMBL3828214 Adenosine receptor A2a Homo sapiens 974 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189055&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044514 346535007 CHEMBL3828214 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512937 Fc1cccc(F)c1Nc1nc2c(ncnc2s1)N1CCCC1 InChI=1S/C15H13F2N5S/c16-9-4-3-5-10(17)11(9)20-15-21-12-13(22-6-1-2-7-22)18-8-19-14(12)23-15/h3-5,8H,1-2,6-7H2,(H,20,21) DCQGCLTWVCOPKL-UHFFFAOYSA-N 50189058 CHEMBL3827582 Adenosine receptor A2a Homo sapiens 2260 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189058&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044142 346535010 CHEMBL3827582 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512938 [O-][N+](=O)c1ccc(Nc2nc3c(ncnc3s2)N2CCCC2)cc1 InChI=1S/C15H14N6O2S/c22-21(23)11-5-3-10(4-6-11)18-15-19-12-13(20-7-1-2-8-20)16-9-17-14(12)24-15/h3-6,9H,1-2,7-8H2,(H,18,19) BGOMRRIRVJFVFH-UHFFFAOYSA-N 50189057 CHEMBL3827990 Adenosine receptor A2a Homo sapiens 3180 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189057&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044516 346535009 CHEMBL3827990 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512939 Brc1cccc(Nc2nc3c(ncnc3s2)N2CCCC2)c1 InChI=1S/C15H14BrN5S/c16-10-4-3-5-11(8-10)19-15-20-12-13(21-6-1-2-7-21)17-9-18-14(12)22-15/h3-5,8-9H,1-2,6-7H2,(H,19,20) YQTYPSIBGJUFHX-UHFFFAOYSA-N 50189104 CHEMBL3827889 Adenosine receptor A2a Homo sapiens 245 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189104&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127043818 346535033 CHEMBL3827889 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512940 OC[C@@H]1CCCN1c1ncnc2sc(Nc3c(F)cccc3F)nc12 InChI=1S/C16H15F2N5OS/c17-10-4-1-5-11(18)12(10)21-16-22-13-14(19-8-20-15(13)25-16)23-6-2-3-9(23)7-24/h1,4-5,8-9,24H,2-3,6-7H2,(H,21,22)/t9-/m0/s1 GNNWCSOWJARYCL-VIFPVBQESA-N 50189059 CHEMBL3828448 Adenosine receptor A2a Homo sapiens 3260 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189059&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127043648 346535011 CHEMBL3828448 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512941 COc1cc(Nc2nc3c(ncnc3s2)N2CCCC2)cc(OC)c1OC InChI=1S/C18H21N5O3S/c1-24-12-8-11(9-13(25-2)15(12)26-3)21-18-22-14-16(23-6-4-5-7-23)19-10-20-17(14)27-18/h8-10H,4-7H2,1-3H3,(H,21,22) NICBIAZGYVMWPV-UHFFFAOYSA-N 50189099 CHEMBL3828479 Adenosine receptor A2a Homo sapiens 102 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50189099&enzyme=Adenosine+receptor+A2a&column=ki&startPg=0&Increment=50&submit=Search 127044518 346535028 CHEMBL3828479 1 MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS 3EML,3QAK,5IU4,5IU7,5IU8,5IUA,5IUB,5MZJ,5MZP,5N2R,5NLX,5NM2,5NM4,5OLG,5OLH,5OLO,5OLV,5OLZ,5OM1,5OM4,5UIG,5WF5,5WF6,6GT3,6S0L,6S0Q,6ZDR,6ZDV,7ARO,8CU6,8JWY,8JWZ Adenosine receptor A2a AA2AR_HUMAN P29274 B2R7E0 50512942 OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12 InChI=1S/C16H16BrN5OS/c17-10-3-1-4-11(7-10)20-16-21-13-14(18-9-19-15(13)24-16)22-6-2-5-12(22)8-23/h1,3-4,7,9,12,23H,2,5-6,8H2,(H,20,21)/t12-/m0/s1 MFGADMHJBQHFPU-LBPRGKRZSA-N 50189097 CHEMBL3827171 Adenosine receptor A2a Homo sapiens 153 ChEMBL 10.1021/acs.jmedchem.6b00552 10.7270/Q2P84DV8 27227326 Bharate, SB; Singh, B; Kachler, S; Oliveira, A; Kumar, V; Bharate, SS; Vishwakarma, RA; Klotz, KN; Gutiérrez de Terán, H Julius-Maximilians-Universit£t W£rzburg http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50189097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2130&target=Adenosine+receptor+A2a&column=ki&startPg=0&