Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'heller' and Initial = 'cl'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264215 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-Bromobenzy...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264214 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenz...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264171 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(trans-2-phen...) Show SMILES 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 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264216 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylam...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50100418 ((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50163016 ((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264169 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2,5-dimethox...) Show SMILES COc1ccc(OC)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264170 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-...) Show SMILES COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50214974 ((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264163 (5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294668 ((2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpu...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 Show InChI 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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50177307 ((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...) Show SMILES CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294670 ((2R,3R,4R)-2-(2-Chloro-6-(methylamino)-9H-purin-9-...) Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1OC[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H12ClN5O3/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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294669 ((2R,3R,4R)-2-(2-Chloro-6-(3-iodobenzylamino)-9Hpur...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294665 ((2R,3R,4R)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294674 ((2R,3R,4R)-Tetrahydro-2-(6-(methylamino)-9H-purin-...) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1OC[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O3/c1-11-8-6-9(13-3-12-8)15(4-14-6)10-7(17)5(16)2-18-10/h3-5,7,10,16-17H,2H2,1H3,(H,11,12,13)/t5-,7-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264165 (5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4...) Show SMILES CON(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O5/c1-26(31-2)17(30)14-12(28)13(29)18(32-14)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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294667 ((2R,3R,4R)-2-(2-Chloro-6-(3-chlorobenzylamino)-9Hp...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294673 ((2R,3R,4R)-2-(6-(3-Chlorobenzylamino)-9H-purin-9-y...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50294668 ((2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpu...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 Show InChI 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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to rat adenosine A3 receptor				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264164 (5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4...) Show SMILES CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294666 ((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50100418 ((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264167 ((1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxyben...) Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 Show InChI InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50163016 ((1S,2R,3S,4R,5S)-4-(6-(5-chloro-2-methoxybenzylami...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264165 (5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4...) Show SMILES CON(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O5/c1-26(31-2)17(30)14-12(28)13(29)18(32-14)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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294671 ((2R,3R,4R)-2-(2-Chloro-6-(3-fluorobenzylamino)-9Hp...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 Show InChI InChI=1S/C16H15ClFN5O3/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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264166 ((1S,2R,3S,4R,5S)-ethyl 4-(6-(3-chlorobenzylamino)-...) Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H21Cl2N5O4/c1-2-32-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(23)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,2,7-8H2,1H3,(H,24,26,27)/t12-,14-,15+,16+,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50214974 ((2R,3R,4S)-2-(2-chloro-6-(3-iodobenzylamino)-9H-pu...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	341	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50294672 ((2R,3R,4R)-2-(6-(3-Fluorobenzylamino)-9H-purin-9-y...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(F)c3)ncnc12 Show InChI 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50100418 ((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	784	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294666 ((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	795	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264164 (5-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-3,4...) Show SMILES CONC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50294666 ((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	997	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50264168 ((1S,2R,3S,4R,5S)-ethyl 4-(6-(3-chlorobenzylamino)-...) Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(SC)nc12 Show InChI InChI=1S/C22H24ClN5O4S/c1-3-32-20(31)22-8-13(22)15(16(29)17(22)30)28-10-25-14-18(26-21(33-2)27-19(14)28)24-9-11-5-4-6-12(23)7-11/h4-7,10,13,15-17,29-30H,3,8-9H2,1-2H3,(H,24,26,27)/t13-,15-,16+,17+,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264167 ((1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxyben...) Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 Show InChI InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50294665 ((2R,3R,4R)-2-(6-(3-Bromobenzylamino)-9H-purin-9-yl...) Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM50264213 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-iodobenzyl...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264170 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(2-hydroxy-5-...) Show SMILES COc1ccc(O)c(CNc2nc(Cl)nc3n(cnc23)[C@@H]2[C@H]3C[C@H]3[C@@H](O)[C@H]2O)c1 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50264216 ((1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(1-naphthylam...) Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
					More data for this Ligand-Target Pair

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