BindingDB logo
myBDB logout

PubMed code 26046697

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human recombinant adenosine A3 receptor expressed in HEK293 cells after 120 mins by scintillation counting analy...


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092289
PNG
(CHEMBL3581305)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(cc1)[N+]([O-])=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092293
PNG
(CHEMBL3581309)
Show SMILES Cn1cc2c(n1)nc(N=C(NC1CCCCC1)NC1CCCCC1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092277
PNG
(CHEMBL3581304)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092308
PNG
(CHEMBL3581310)
Show SMILES CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092263
PNG
(CHEMBL3581300)
Show SMILES COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092262
PNG
(CHEMBL3581299)
Show SMILES Cc1ccc(NC(Nc2ccc(C)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092265
PNG
(CHEMBL3581302)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092261
PNG
(CHEMBL3581298)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccccc1)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092291
PNG
(CHEMBL3581307)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092264
PNG
(CHEMBL3581301)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092290
PNG
(CHEMBL3581306)
Show SMILES COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
155n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
222n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092266
PNG
(CHEMBL3581303)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
345n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
381n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting analysi...


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092292
PNG
(CHEMBL3581308)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
594n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092263
PNG
(CHEMBL3581300)
Show SMILES COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092277
PNG
(CHEMBL3581304)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092308
PNG
(CHEMBL3581310)
Show SMILES CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092290
PNG
(CHEMBL3581306)
Show SMILES COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092266
PNG
(CHEMBL3581303)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092266
PNG
(CHEMBL3581303)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092309
PNG
(CHEMBL3581311)
Show SMILES CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092289
PNG
(CHEMBL3581305)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(cc1)[N+]([O-])=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092277
PNG
(CHEMBL3581304)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2C(CC2=O)S1(=O)=O)C(O)=O
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092265
PNG
(CHEMBL3581302)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092292
PNG
(CHEMBL3581308)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092261
PNG
(CHEMBL3581298)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccccc1)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092291
PNG
(CHEMBL3581307)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092263
PNG
(CHEMBL3581300)
Show SMILES COc1ccc(NC(Nc2ccc(OC)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092264
PNG
(CHEMBL3581301)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092290
PNG
(CHEMBL3581306)
Show SMILES COc1cccc(NC(Nc2cccc(OC)c2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)c1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092291
PNG
(CHEMBL3581307)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092293
PNG
(CHEMBL3581309)
Show SMILES Cn1cc2c(n1)nc(N=C(NC1CCCCC1)NC1CCCCC1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092262
PNG
(CHEMBL3581299)
Show SMILES Cc1ccc(NC(Nc2ccc(C)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092261
PNG
(CHEMBL3581298)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccccc1)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092308
PNG
(CHEMBL3581310)
Show SMILES CC(C)NC(NC(C)C)=Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092292
PNG
(CHEMBL3581308)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1cccc(c1)C(F)(F)F)Nc1cccc(c1)C(F)(F)F)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092262
PNG
(CHEMBL3581299)
Show SMILES Cc1ccc(NC(Nc2ccc(C)cc2)=Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50092309
PNG
(CHEMBL3581311)
Show SMILES CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50092309
PNG
(CHEMBL3581311)
Show SMILES CCN\C(NCCCN(C)C)=N/c1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092293
PNG
(CHEMBL3581309)
Show SMILES Cn1cc2c(n1)nc(N=C(NC1CCCCC1)NC1CCCCC1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092264
PNG
(CHEMBL3581301)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092265
PNG
(CHEMBL3581302)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50092289
PNG
(CHEMBL3581305)
Show SMILES Cn1cc2c(n1)nc(N=C(Nc1ccc(cc1)[N+]([O-])=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 58: 5355-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00551
BindingDB Entry DOI: 10.7270/Q25X2BNW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%