BindingDB logo
myBDB logout

PubMed code 10737748

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


(BOVINE)		BDBM50086155
PNG
(4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-...)
Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.420n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 0.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086157
PNG
(4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.10n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086144
PNG
(4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...)
Show SMILES Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.21n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.43n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.47n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086146
PNG
(CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086149
PNG
(CHEMBL280080 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C23H17N5O2/c29-20(15-16-9-3-1-4-10-16)25-21-22-26-28(17-11-5-2-6-12-17)23(30)27(22)19-14-8-7-13-18(19)24-21/h1-14H,15H2,(H,24,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.75n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086130
PNG
(4-(cyclohexylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C22H23N5O/c1-15-8-7-11-17(14-15)27-22(28)26-19-13-6-5-12-18(19)24-20(21(26)25-27)23-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086146
PNG
(CHEMBL16305 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES CC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C17H13N5O2/c1-11(23)18-15-16-20-22(12-7-3-2-4-8-12)17(24)21(16)14-10-6-5-9-13(14)19-15/h2-10H,1H3,(H,18,19,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.30n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086136
PNG
(4-Phenethylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c29-23-27-20-14-8-7-13-19(20)25-21(24-16-15-17-9-3-1-4-10-17)22(27)26-28(23)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.80n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086132
PNG
(4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086149
PNG
(CHEMBL280080 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C23H17N5O2/c29-20(15-16-9-3-1-4-10-16)25-21-22-26-28(17-11-5-2-6-12-17)23(30)27(22)19-14-8-7-13-18(19)24-21/h1-14H,15H2,(H,24,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.30n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086152
PNG
(4-Amino-6-benzylamino-2-phenyl-2H-[1,2,4]triazolo[...)
Show SMILES Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 6.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086141
PNG
(4,6-Diamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C15H12N6O/c16-10-7-4-8-11-12(10)18-13(17)14-19-21(15(22)20(11)14)9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 9.20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086134
PNG
(CHEMBL274273 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C18H15N5O2/c1-2-15(24)20-16-17-21-23(12-8-4-3-5-9-12)18(25)22(17)14-11-7-6-10-13(14)19-16/h3-11H,2H2,1H3,(H,19,20,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 9.30n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086153
PNG
(4-Amino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxal...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C15H11N5O/c16-13-14-18-20(10-6-2-1-3-7-10)15(21)19(14)12-9-5-4-8-11(12)17-13/h1-9H,(H2,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 11n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086147
PNG
(4-Amino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-5-4-6-11(9-10)21-16(22)20-13-8-3-2-7-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 14.6n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086134
PNG
(CHEMBL274273 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,...)
Show SMILES CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C18H15N5O2/c1-2-15(24)20-16-17-21-23(12-8-4-3-5-9-12)18(25)22(17)14-11-7-6-10-13(14)19-16/h3-11H,2H2,1H3,(H,19,20,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 15.8n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086128
PNG
(2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]q...)
Show SMILES COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086148
PNG
(2-Phenyl-4-(3-phenyl-propylamino)-2H-[1,2,4]triazo...)
Show SMILES O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 17.9n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086141
PNG
(4,6-Diamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES Nc1cccc2c1nc(N)c1nn(-c3ccccc3)c(=O)n21
Show InChI InChI=1S/C15H12N6O/c16-10-7-4-8-11-12(10)18-13(17)14-19-21(15(22)20(11)14)9-5-2-1-3-6-9/h1-8H,16H2,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 18.7n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086131
PNG
(4-Amino-2-p-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-6-8-11(9-7-10)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 19.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086147
PNG
(4-Amino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-5-4-6-11(9-10)21-16(22)20-13-8-3-2-7-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086137
PNG
(2-p-Tolyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-...)
Show SMILES Cc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 25n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086144
PNG
(4-(cyclopentylamino)-2-m-tolyl-[1,2,4]triazolo[4,3...)
Show SMILES Cc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 27.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086147
PNG
(4-Amino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1cccc(c1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-5-4-6-11(9-10)21-16(22)20-13-8-3-2-7-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 28.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086127
PNG
(4-Amino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
Show InChI InChI=1S/C15H10FN5O/c16-9-4-3-5-10(8-9)21-15(22)20-12-7-2-1-6-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 28.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086160
PNG
(5-Methyl-2-phenyl-2H,5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES Cn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-18-12-9-5-6-10-13(12)19-14(15(18)21)17-20(16(19)22)11-7-3-2-4-8-11/h2-10H,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 36.6n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086148
PNG
(2-Phenyl-4-(3-phenyl-propylamino)-2H-[1,2,4]triazo...)
Show SMILES O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 40.9n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086132
PNG
(4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 44.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086143
PNG
(4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...)
Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 45.3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086131
PNG
(4-Amino-2-p-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-6-8-11(9-7-10)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 48.3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086153
PNG
(4-Amino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxal...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C15H11N5O/c16-13-14-18-20(10-6-2-1-3-7-10)15(21)19(14)12-9-5-4-8-11(12)17-13/h1-9H,(H2,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 49n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086145
PNG
(1-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-...)
Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H16N6O2/c29-21(23-15-9-3-1-4-10-15)25-19-20-26-28(16-11-5-2-6-12-16)22(30)27(20)18-14-8-7-13-17(18)24-19/h1-14H,(H2,23,24,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 50.8n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086142
PNG
(4-(2,2-Diphenyl-ethylamino)-2-phenyl-2H-[1,2,4]tri...)
Show SMILES O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 54n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086162
PNG
(4-Benzylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES O=c1n(nc2c(NCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-22-26-19-14-8-7-13-18(19)24-20(23-15-16-9-3-1-4-10-16)21(26)25-27(22)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 55n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086155
PNG
(4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-...)
Show SMILES O=c1n(nc2c(NC3CCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 55.4n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086150
PNG
(2-(4-Chloro-phenyl)-4-cyclohexylamino-2H-[1,2,4]tr...)
Show SMILES Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H20ClN5O/c22-14-10-12-16(13-11-14)27-21(28)26-18-9-5-4-8-17(18)24-19(20(26)25-27)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 56.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086138
PNG
(2-(3-Fluoro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Fc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C15H9FN4O2/c16-9-4-3-5-10(8-9)20-15(22)19-12-7-2-1-6-11(12)17-14(21)13(19)18-20/h1-8H,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 63n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086132
PNG
(4-(cyclohexylamino)-2-(3-fluorophenyl)-[1,2,4]tria...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H20FN5O/c22-14-7-6-10-16(13-14)27-21(28)26-18-12-5-4-11-17(18)24-19(20(26)25-27)23-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 66n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086127
PNG
(4-Amino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
Show InChI InChI=1S/C15H10FN5O/c16-9-4-3-5-10(8-9)21-15(22)20-12-7-2-1-6-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 72n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086133
PNG
(2-Phenyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1...)
Show SMILES O=c1n(nc2n1c1ccccc1[nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H10N4O2/c20-14-13-17-19(10-6-2-1-3-7-10)15(21)18(13)12-9-5-4-8-11(12)16-14/h1-9H,(H,16,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 80n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086150
PNG
(2-(4-Chloro-phenyl)-4-cyclohexylamino-2H-[1,2,4]tr...)
Show SMILES Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C21H20ClN5O/c22-14-10-12-16(13-11-14)27-21(28)26-18-9-5-4-8-17(18)24-19(20(26)25-27)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 80.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086131
PNG
(4-Amino-2-p-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxa...)
Show SMILES Cc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O/c1-10-6-8-11(9-7-10)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 85.8n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086159
PNG
(CHEMBL16488 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4...)
Show SMILES O=C(Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O)c1ccccc1
Show InChI InChI=1S/C22H15N5O2/c28-21(15-9-3-1-4-10-15)24-19-20-25-27(16-11-5-2-6-12-16)22(29)26(20)18-14-8-7-13-17(18)23-19/h1-14H,(H,23,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 89.6n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086154
PNG
(2-m-Tolyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-...)
Show SMILES Cc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-10-5-4-6-11(9-10)20-16(22)19-13-8-3-2-7-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 91n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086135
PNG
(2-(4-Chloro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Clc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C15H9ClN4O2/c16-9-5-7-10(8-6-9)20-15(22)19-12-4-2-1-3-11(12)17-14(21)13(19)18-20/h1-8H,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 114n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086158
PNG
(2-(4-Chloro-phenyl)-5-methyl-2H,5H-[1,2,4]triazolo...)
Show SMILES Cn1c2ccccc2n2c(nn(-c3ccc(Cl)cc3)c2=O)c1=O
Show InChI InChI=1S/C16H11ClN4O2/c1-19-12-4-2-3-5-13(12)20-14(15(19)22)18-21(16(20)23)11-8-6-10(17)7-9-11/h2-9H,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 137n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086137
PNG
(2-p-Tolyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-...)
Show SMILES Cc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-10-6-8-11(9-7-10)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 155n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086127
PNG
(4-Amino-2-(3-fluoro-phenyl)-2H-[1,2,4]triazolo[4,3...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1cccc(F)c1)c2=O
Show InChI InChI=1S/C15H10FN5O/c16-9-4-3-5-10(8-9)21-15(22)20-12-7-2-1-6-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 157n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086157
PNG
(4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]tri...)
Show SMILES Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 173n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086129
PNG
(2-p-Tolyl-1,2-dihydro-5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES Cc1ccc(cc1)N1CN2C(=N1)C(=O)Nc1ccccc21 |c:11|
Show InChI InChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)20-10-19-14-5-3-2-4-13(14)17-16(21)15(19)18-20/h2-9H,10H2,1H3,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 197n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086138
PNG
(2-(3-Fluoro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Fc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C15H9FN4O2/c16-9-4-3-5-10(8-9)20-15(22)19-12-7-2-1-6-11(12)17-14(21)13(19)18-20/h1-8H,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 200n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086136
PNG
(4-Phenethylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c29-23-27-20-14-8-7-13-19(20)25-21(24-16-15-17-9-3-1-4-10-17)22(27)26-28(23)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 201n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086145
PNG
(1-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-...)
Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H16N6O2/c29-21(23-15-9-3-1-4-10-15)25-19-20-26-28(16-11-5-2-6-12-16)22(30)27(20)18-14-8-7-13-17(18)24-19/h1-14H,(H2,23,24,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 276n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086160
PNG
(5-Methyl-2-phenyl-2H,5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES Cn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-18-12-9-5-6-10-13(12)19-14(15(18)21)17-20(16(19)22)11-7-3-2-4-8-11/h2-10H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 309n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086143
PNG
(4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...)
Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 312n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086126
PNG
(4-Amino-2-(4-chloro-phenyl)-2H-[1,2,4]triazolo[4,3...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C15H10ClN5O/c16-9-5-7-10(8-6-9)21-15(22)20-12-4-2-1-3-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 329n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086143
PNG
(4-Amino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,...)
Show SMILES COc1ccc(cc1)-n1nc2c(N)nc3ccccc3n2c1=O
Show InChI InChI=1S/C16H13N5O2/c1-23-11-8-6-10(7-9-11)21-16(22)20-13-5-3-2-4-12(13)18-14(17)15(20)19-21/h2-9H,1H3,(H2,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 376n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086151
PNG
(2-Phenyl-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES CCCn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
Show InChI InChI=1S/C18H16N4O2/c1-2-12-20-14-10-6-7-11-15(14)21-16(17(20)23)19-22(18(21)24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 406n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086126
PNG
(4-Amino-2-(4-chloro-phenyl)-2H-[1,2,4]triazolo[4,3...)
Show SMILES Nc1nc2ccccc2n2c1nn(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C15H10ClN5O/c16-9-5-7-10(8-6-9)21-15(22)20-12-4-2-1-3-11(12)18-13(17)14(20)19-21/h1-8H,(H2,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 426n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086154
PNG
(2-m-Tolyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-...)
Show SMILES Cc1cccc(c1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O2/c1-10-5-4-6-11(9-10)20-16(22)19-13-8-3-2-7-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 436n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086139
PNG
(2-Phenyl-5-prop-2-ynyl-2H,5H-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2n1c1ccccc1n(CC#C)c2=O)-c1ccccc1
Show InChI InChI=1S/C18H12N4O2/c1-2-12-20-14-10-6-7-11-15(14)21-16(17(20)23)19-22(18(21)24)13-8-4-3-5-9-13/h1,3-11H,12H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 479n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086156
PNG
(5-Methyl-2-p-tolyl-2H,5H-[1,2,4]triazolo[4,3-a]qui...)
Show SMILES Cc1ccc(cc1)-n1nc2n(c3ccccc3n(C)c2=O)c1=O
Show InChI InChI=1S/C17H14N4O2/c1-11-7-9-12(10-8-11)21-17(23)20-14-6-4-3-5-13(14)19(2)16(22)15(20)18-21/h3-10H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 504n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 506n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086133
PNG
(2-Phenyl-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1...)
Show SMILES O=c1n(nc2n1c1ccccc1[nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H10N4O2/c20-14-13-17-19(10-6-2-1-3-7-10)15(21)18(13)12-9-5-4-8-11(12)16-14/h1-9H,(H,16,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 515n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086130
PNG
(4-(cyclohexylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1cccc(c1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
Show InChI InChI=1S/C22H23N5O/c1-15-8-7-11-17(14-15)27-22(28)26-19-13-6-5-12-18(19)24-20(21(26)25-27)23-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 548n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086152
PNG
(4-Amino-6-benzylamino-2-phenyl-2H-[1,2,4]triazolo[...)
Show SMILES Nc1nc2c(NCc3ccccc3)cccc2n2c1nn(-c1ccccc1)c2=O
Show InChI InChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 730n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086128
PNG
(2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]q...)
Show SMILES COc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)20-16(22)19-13-5-3-2-4-12(13)17-15(21)14(19)18-20/h2-9H,1H3,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 934n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086161
PNG
(1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro...)
Show SMILES COc1ccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C23H18N6O3/c1-32-17-13-11-15(12-14-17)24-22(30)26-20-21-27-29(16-7-3-2-4-8-16)23(31)28(21)19-10-6-5-9-18(19)25-20/h2-14H,1H3,(H2,24,25,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 960n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086135
PNG
(2-(4-Chloro-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Clc1ccc(cc1)-n1nc2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C15H9ClN4O2/c16-9-5-7-10(8-6-9)20-15(22)19-12-4-2-1-3-11(12)17-14(21)13(19)18-20/h1-8H,(H,17,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.02E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086142
PNG
(4-(2,2-Diphenyl-ethylamino)-2-phenyl-2H-[1,2,4]tri...)
Show SMILES O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.02E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells using [125I]-AB-MECA at 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086151
PNG
(2-Phenyl-5-propyl-2H,5H-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES CCCn1c2ccccc2n2c(nn(-c3ccccc3)c2=O)c1=O
Show InChI InChI=1S/C18H16N4O2/c1-2-12-20-14-10-6-7-11-15(14)21-16(17(20)23)19-22(18(21)24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.25E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM81925
PNG
(8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells using [125I]-AB-MECA at 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.37E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50086162
PNG
(4-Benzylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES O=c1n(nc2c(NCc3ccccc3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-22-26-19-14-8-7-13-18(19)24-20(23-15-16-9-3-1-4-10-16)21(26)25-27(22)17-11-5-2-6-12-17/h1-14H,15H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086139
PNG
(2-Phenyl-5-prop-2-ynyl-2H,5H-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2n1c1ccccc1n(CC#C)c2=O)-c1ccccc1
Show InChI InChI=1S/C18H12N4O2/c1-2-12-20-14-10-6-7-11-15(14)21-16(17(20)23)19-22(18(21)24)13-8-4-3-5-9-13/h1,3-11H,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.20E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50086161
PNG
(1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro...)
Show SMILES COc1ccc(NC(=O)Nc2nc3ccccc3n3c2nn(-c2ccccc2)c3=O)cc1
Show InChI InChI=1S/C23H18N6O3/c1-32-17-13-11-15(12-14-17)24-22(30)26-20-21-27-29(16-7-3-2-4-8-16)23(31)28(21)19-10-6-5-9-18(19)25-20/h2-14H,1H3,(H2,24,25,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.60E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 3.80E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 8.60E+4n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells using [125I]-AB-MECA at 1 uM

J Med Chem 43: 1158-64 (2000)


BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%