BindingDB logo
myBDB logout

PubMed code 16366607

Compile data set for download or QSAR
Found 81 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 A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179306
PNG
(2-(4-(methylthio)-1H-benzo[d]imidazol-2-yl)quinoxa...)
Show SMILES CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4S/c1-21-14-8-4-7-12-15(14)20-16(19-12)13-9-17-10-5-2-3-6-11(10)18-13/h2-9H,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179304
PNG
(2-(6-chloro-4-methyl-1H-benzo[d]imidazol-2-yl)quin...)
Show SMILES Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11ClN4/c1-9-6-10(17)7-13-15(9)21-16(20-13)14-8-18-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179293
PNG
(2-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H8Cl2N4/c16-8-5-9(17)14-12(6-8)20-15(21-14)13-7-18-10-3-1-2-4-11(10)19-13/h1-7H,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI 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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
16n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21217
PNG
(2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline | ...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179301
PNG
(2,5,8-triethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d':5...)
Show SMILES CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
Show InChI InChI=1S/C15H18N6/c1-4-7-16-10-11(17-7)13-15(21-9(6-3)19-13)14-12(10)18-8(5-2)20-14/h4-6H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21215
PNG
(2-(1H-1,3-benzodiazol-2-yl)quinoxaline | 2-(1H-ben...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI 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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179301
PNG
(2,5,8-triethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d':5...)
Show SMILES CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
Show InChI InChI=1S/C15H18N6/c1-4-7-16-10-11(17-7)13-15(21-9(6-3)19-13)14-12(10)18-8(5-2)20-14/h4-6H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
104n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21214
PNG
(3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin...)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
125n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179299
PNG
(2,5-diethyl-8-methyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
Show InChI InChI=1S/C14H16N6/c1-4-7-17-11-9-10(16-6(3)15-9)12-14(13(11)19-7)20-8(5-2)18-12/h4-5H2,1-3H3,(H,15,16)(H,17,19)(H,18,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179303
PNG
(2-(4-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-4-3-7-12-14(9)20-15(19-12)13-8-17-10-5-1-2-6-11(10)18-13/h1-8H,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179289
PNG
(2-ethyl-5,8-dimethyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
Show InChI InChI=1S/C13H14N6/c1-4-7-18-12-10-8(14-5(2)16-10)9-11(13(12)19-7)17-6(3)15-9/h4H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179295
PNG
(2-(1H-imidazo[4,5-c]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-4-10-9(3-1)16-8-13(17-10)14-18-11-5-6-15-7-12(11)19-14/h1-8H,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
168n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179304
PNG
(2-(6-chloro-4-methyl-1H-benzo[d]imidazol-2-yl)quin...)
Show SMILES Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11ClN4/c1-9-6-10(17)7-13-15(9)21-16(20-13)14-8-18-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
238n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179306
PNG
(2-(4-(methylthio)-1H-benzo[d]imidazol-2-yl)quinoxa...)
Show SMILES CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4S/c1-21-14-8-4-7-12-15(14)20-16(19-12)13-9-17-10-5-2-3-6-11(10)18-13/h2-9H,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
278n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179299
PNG
(2,5-diethyl-8-methyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
Show InChI InChI=1S/C14H16N6/c1-4-7-17-11-9-10(16-6(3)15-9)12-14(13(11)19-7)20-8(5-2)18-12/h4-5H2,1-3H3,(H,15,16)(H,17,19)(H,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
329n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
337n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179303
PNG
(2-(4-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-4-3-7-12-14(9)20-15(19-12)13-8-17-10-5-1-2-6-11(10)18-13/h1-8H,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179307
PNG
(2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
370n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179300
PNG
(7,8-Dihydro-3H,6H-5-thia-1,2,3,4,8a-pentaaza-cyclo...)
Show SMILES O=c1n2CCCSc2nc2nn[nH]c12
Show InChI InChI=1S/C7H7N5OS/c13-6-4-5(10-11-9-4)8-7-12(6)2-1-3-14-7/h1-3H2,(H,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
437n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21219
PNG
(12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...)
Show SMILES CC1CSc2nc3nn[nH]c3c(=O)n12
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
440n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179289
PNG
(2-ethyl-5,8-dimethyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
Show InChI InChI=1S/C13H14N6/c1-4-7-18-12-10-8(14-5(2)16-10)9-11(13(12)19-7)17-6(3)15-9/h4H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
496n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21215
PNG
(2-(1H-1,3-benzodiazol-2-yl)quinoxaline | 2-(1H-ben...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
561n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179302
PNG
(2-(5-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-5-6-12-13(7-9)20-15(19-12)14-8-17-10-3-1-2-4-11(10)18-14/h1-8H,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
632n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179293
PNG
(2-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H8Cl2N4/c16-8-5-9(17)14-12(6-8)20-15(21-14)13-7-18-10-3-1-2-4-11(10)19-13/h1-7H,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
699n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179301
PNG
(2,5,8-triethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d':5...)
Show SMILES CCc1nc2c([nH]1)c1nc(CC)[nH]c1c1nc(CC)[nH]c21
Show InChI InChI=1S/C15H18N6/c1-4-7-16-10-11(17-7)13-15(21-9(6-3)19-13)14-12(10)18-8(5-2)20-14/h4-6H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
720n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21215
PNG
(2-(1H-1,3-benzodiazol-2-yl)quinoxaline | 2-(1H-ben...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
763n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21217
PNG
(2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline | ...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
833n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179296
PNG
(2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline | ...)
Show SMILES [O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
879n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
955n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179299
PNG
(2,5-diethyl-8-methyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3nc(C)[nH]c3c3nc(CC)[nH]c3c2[nH]1
Show InChI InChI=1S/C14H16N6/c1-4-7-17-11-9-10(16-6(3)15-9)12-14(13(11)19-7)20-8(5-2)18-12/h4-5H2,1-3H3,(H,15,16)(H,17,19)(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
966n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179305
PNG
(6,7-Dihydro-3H-thiazolo[3,2-a][1,2,3]triazolo[4,5-...)
Show SMILES O=c1n2CCSc2nc2nn[nH]c12
Show InChI InChI=1S/C6H5N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2H2,(H,8,9,10)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179298
PNG
(2-(5-methyl-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4/c1-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179294
PNG
(CHEMBL382935 | [1,3]thiazolo[3,2-a][1,2,3]triazolo...)
Show SMILES Oc1c2nnnc2nc2sccn12
Show InChI InChI=1S/C6H3N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2,12H
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179287
PNG
(2-(1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-5-10-9(4-1)16-8-12(17-10)14-18-11-6-3-7-15-13(11)19-14/h1-8H,(H,15,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179297
PNG
(2-(7H-purin-8-yl)quinoxaline | CHEMBL197962)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C13H8N6/c1-2-4-9-8(3-1)15-6-11(17-9)13-18-10-5-14-7-16-12(10)19-13/h1-7H,(H,14,16,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50179292
PNG
(2-(5-methoxy-1H-benzo[d]imidazol-2-yl)quinoxaline ...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4O/c1-21-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179306
PNG
(2-(4-(methylthio)-1H-benzo[d]imidazol-2-yl)quinoxa...)
Show SMILES CSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4S/c1-21-14-8-4-7-12-15(14)20-16(19-12)13-9-17-10-5-2-3-6-11(10)18-13/h2-9H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21214
PNG
(3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin...)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.34E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.44E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21217
PNG
(2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline | ...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179287
PNG
(2-(1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-5-10-9(4-1)16-8-12(17-10)14-18-11-6-3-7-15-13(11)19-14/h1-8H,(H,15,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179294
PNG
(CHEMBL382935 | [1,3]thiazolo[3,2-a][1,2,3]triazolo...)
Show SMILES Oc1c2nnnc2nc2sccn12
Show InChI InChI=1S/C6H3N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2,12H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179300
PNG
(7,8-Dihydro-3H,6H-5-thia-1,2,3,4,8a-pentaaza-cyclo...)
Show SMILES O=c1n2CCCSc2nc2nn[nH]c12
Show InChI InChI=1S/C7H7N5OS/c13-6-4-5(10-11-9-4)8-7-12(6)2-1-3-14-7/h1-3H2,(H,9,10,11)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179304
PNG
(2-(6-chloro-4-methyl-1H-benzo[d]imidazol-2-yl)quin...)
Show SMILES Cc1cc(Cl)cc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11ClN4/c1-9-6-10(17)7-13-15(9)21-16(20-13)14-8-18-11-4-2-3-5-12(11)19-14/h2-8H,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179295
PNG
(2-(1H-imidazo[4,5-c]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-4-10-9(3-1)16-8-13(17-10)14-18-11-5-6-15-7-12(11)19-14/h1-8H,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21219
PNG
(12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...)
Show SMILES CC1CSc2nc3nn[nH]c3c(=O)n12
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179302
PNG
(2-(5-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-5-6-12-13(7-9)20-15(19-12)14-8-17-10-3-1-2-4-11(10)18-14/h1-8H,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179296
PNG
(2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline | ...)
Show SMILES [O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179307
PNG
(2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179298
PNG
(2-(5-methyl-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4/c1-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179307
PNG
(2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4/c1-10-7-14-15(8-11(10)2)21-17(20-14)16-9-18-12-5-3-4-6-13(12)19-16/h3-9H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179305
PNG
(6,7-Dihydro-3H-thiazolo[3,2-a][1,2,3]triazolo[4,5-...)
Show SMILES O=c1n2CCSc2nc2nn[nH]c12
Show InChI InChI=1S/C6H5N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2H2,(H,8,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179292
PNG
(2-(5-methoxy-1H-benzo[d]imidazol-2-yl)quinoxaline ...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4O/c1-21-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179295
PNG
(2-(1H-imidazo[4,5-c]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-4-10-9(3-1)16-8-13(17-10)14-18-11-5-6-15-7-12(11)19-14/h1-8H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179303
PNG
(2-(4-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-4-3-7-12-14(9)20-15(19-12)13-8-17-10-5-1-2-6-11(10)18-13/h1-8H,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21219
PNG
(12-methyl-10-thia-1,4,5,6,8-pentaazatricyclo[7.3.0...)
Show SMILES CC1CSc2nc3nn[nH]c3c(=O)n12
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179302
PNG
(2-(5-chloro-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Clc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9ClN4/c16-9-5-6-12-13(7-9)20-15(19-12)14-8-17-10-3-1-2-4-11(10)18-14/h1-8H,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179297
PNG
(2-(7H-purin-8-yl)quinoxaline | CHEMBL197962)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C13H8N6/c1-2-4-9-8(3-1)15-6-11(17-9)13-18-10-5-14-7-16-12(10)19-13/h1-7H,(H,14,16,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179292
PNG
(2-(5-methoxy-1H-benzo[d]imidazol-2-yl)quinoxaline ...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4O/c1-21-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21214
PNG
(3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin...)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179296
PNG
(2-(4-nitro-1H-benzo[d]imidazol-2-yl)quinoxaline | ...)
Show SMILES [O-][N+](=O)c1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H9N5O2/c21-20(22)13-7-3-6-11-14(13)19-15(18-11)12-8-16-9-4-1-2-5-10(9)17-12/h1-8H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21218
PNG
(2,5,8-trimethyl-4,7-dihydro-1H-benzo[1,2-d:3,4-d :...)
Show SMILES Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179300
PNG
(7,8-Dihydro-3H,6H-5-thia-1,2,3,4,8a-pentaaza-cyclo...)
Show SMILES O=c1n2CCCSc2nc2nn[nH]c12
Show InChI InChI=1S/C7H7N5OS/c13-6-4-5(10-11-9-4)8-7-12(6)2-1-3-14-7/h1-3H2,(H,9,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179287
PNG
(2-(1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline | CHE...)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C14H9N5/c1-2-5-10-9(4-1)16-8-12(17-10)14-18-11-6-3-7-15-13(11)19-14/h1-8H,(H,15,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179294
PNG
(CHEMBL382935 | [1,3]thiazolo[3,2-a][1,2,3]triazolo...)
Show SMILES Oc1c2nnnc2nc2sccn12
Show InChI InChI=1S/C6H3N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2,12H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179293
PNG
(2-(4,6-dichloro-1H-benzo[d]imidazol-2-yl)quinoxali...)
Show SMILES Clc1cc(Cl)c2[nH]c(nc2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C15H8Cl2N4/c16-8-5-9(17)14-12(6-8)20-15(21-14)13-7-18-10-3-1-2-4-11(10)19-13/h1-7H,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179289
PNG
(2-ethyl-5,8-dimethyl-4,7-dihydro-1H-benzo[1,2-d:3,...)
Show SMILES CCc1nc2c3[nH]c(C)nc3c3nc(C)[nH]c3c2[nH]1
Show InChI InChI=1S/C13H14N6/c1-4-7-18-12-10-8(14-5(2)16-10)9-11(13(12)19-7)17-6(3)15-9/h4H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI 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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179297
PNG
(2-(7H-purin-8-yl)quinoxaline | CHEMBL197962)
Show SMILES c1ccc2nc(cnc2c1)-c1nc2ncncc2[nH]1
Show InChI InChI=1S/C13H8N6/c1-2-4-9-8(3-1)15-6-11(17-9)13-18-10-5-14-7-16-12(10)19-13/h1-7H,(H,14,16,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50179305
PNG
(6,7-Dihydro-3H-thiazolo[3,2-a][1,2,3]triazolo[4,5-...)
Show SMILES O=c1n2CCSc2nc2nn[nH]c12
Show InChI InChI=1S/C6H5N5OS/c12-5-3-4(9-10-8-3)7-6-11(5)1-2-13-6/h1-2H2,(H,8,9,10)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21213
PNG
(2,2 -(4H-1,2,4-triazole-3,5-diyl)dipyridine | 2-[3...)
Show SMILES c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
Show InChI 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50179298
PNG
(2-(5-methyl-1H-benzo[d]imidazol-2-yl)quinoxaline |...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12N4/c1-10-6-7-13-14(8-10)20-16(19-13)15-9-17-11-4-2-3-5-12(11)18-15/h2-9H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%