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PubMed code 11462973

Compile data set for download or QSAR
Found 47 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)		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)
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 0.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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 4.20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		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
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 14n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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
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 16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(BOVINE)		BDBM50102282
PNG
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
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 18n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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 19.9n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102282
PNG
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
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 24.7n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102282
PNG
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
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 25n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083917
PNG
(10-methyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
Show InChI InChI=1S/C16H12N4O/c1-19-12-9-5-6-10-13(12)20-15(21)14(17-18-16(19)20)11-7-3-2-4-8-11/h2-10H,1H3
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 63n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
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
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 73n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125 I]AB-MECA from adenosine A3 receptor in bovine cortical membranes with 20 nM DPCPX

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102289
PNG
(10-Methyl-3-thiophen-3-yl-10H-benzo[4,5]imidazo[2,...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccsc1)c2=O
Show InChI InChI=1S/C14H10N4OS/c1-17-10-4-2-3-5-11(10)18-13(19)12(15-16-14(17)18)9-6-7-20-8-9/h2-8H,1H3
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 78n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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 85n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083917
PNG
(10-methyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
Show InChI InChI=1S/C16H12N4O/c1-19-12-9-5-6-10-13(12)20-15(21)14(17-18-16(19)20)11-7-3-2-4-8-11/h2-10H,1H3
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 93.1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083915
PNG
(3-Thiophen-3-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccsc1
Show InChI InChI=1S/C13H8N4OS/c18-12-11(8-5-6-19-7-8)15-16-13-14-9-3-1-2-4-10(9)17(12)13/h1-7H,(H,14,16)
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 119n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083917
PNG
(10-methyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccccc1)c2=O
Show InChI InChI=1S/C16H12N4O/c1-19-12-9-5-6-10-13(12)20-15(21)14(17-18-16(19)20)11-7-3-2-4-8-11/h2-10H,1H3
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 119n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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 141n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor using [3H]DPCPX from bovine cortical membranes without GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102284
PNG
(10-Benzyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O/c27-21-20(17-11-5-2-6-12-17)23-24-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2
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 184n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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 197n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102285
PNG
(3-(4-Hydroxy-phenyl)-10-methyl-10H-benzo[4,5]imida...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12N4O2/c1-19-12-4-2-3-5-13(12)20-15(22)14(17-18-16(19)20)10-6-8-11(21)9-7-10/h2-9,21H,1H3
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 206n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102294
PNG
(10-Methyl-3-thiophen-2-yl-10H-benzo[4,5]imidazo[2,...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1cccs1)c2=O
Show InChI InChI=1S/C14H10N4OS/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
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 233n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102284
PNG
(10-Benzyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O/c27-21-20(17-11-5-2-6-12-17)23-24-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2
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 240n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083919
PNG
(3-Furan-2-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]tr...)
Show SMILES O=c1c(n[nH]c2nc3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C13H8N4O2/c18-12-11(10-6-3-7-19-10)15-16-13-14-8-4-1-2-5-9(8)17(12)13/h1-7H,(H,14,16)
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 241n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083916
PNG
(3-(4-Hydroxy-phenyl)-10H-benzo[4,5]imidazo[2,1-c][...)
Show SMILES Oc1ccc(cc1)-c1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C15H10N4O2/c20-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)16-15(19)18-17-13/h1-8,20H,(H,16,18)
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 249n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083919
PNG
(3-Furan-2-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]tr...)
Show SMILES O=c1c(n[nH]c2nc3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C13H8N4O2/c18-12-11(10-6-3-7-19-10)15-16-13-14-8-4-1-2-5-9(8)17(12)13/h1-7H,(H,14,16)
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 261n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102284
PNG
(10-Benzyl-3-phenyl-10H-benzo[4,5]imidazo[2,1-c][1,...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H16N4O/c27-21-20(17-11-5-2-6-12-17)23-24-22-25(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26(21)22/h1-14H,15H2
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 274n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083920
PNG
(3-Thiophen-2-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4...)
Show SMILES O=c1c(n[nH]c2nc3ccccc3n12)-c1cccs1
Show InChI InChI=1S/C13H8N4OS/c18-12-11(10-6-3-7-19-10)15-16-13-14-8-4-1-2-5-9(8)17(12)13/h1-7H,(H,14,16)
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 293n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102287
PNG
(3-furan-2-yl-10-phenyl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H
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 315n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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)
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 337n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102281
PNG
(10-Benzyl-3-(4-hydroxy-phenyl)-10H-benzo[4,5]imida...)
Show SMILES Oc1ccc(cc1)-c1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
Show InChI InChI=1S/C22H16N4O2/c27-17-12-10-16(11-13-17)20-21(28)26-19-9-5-4-8-18(19)25(22(26)24-23-20)14-15-6-2-1-3-7-15/h1-13,27H,14H2
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 344n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102291
PNG
(10-Benzyl-3-thiophen-3-yl-10H-benzo[4,5]imidazo[2,...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccsc1
Show InChI InChI=1S/C20H14N4OS/c25-19-18(15-10-11-26-13-15)21-22-20-23(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)24(19)20/h1-11,13H,12H2
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 446n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102293
PNG
(3-(3,4-Dihydroxy-phenyl)-10-methyl-10H-benzo[4,5]i...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccc(O)c(O)c1)c2=O
Show InChI InChI=1S/C16H12N4O3/c1-19-10-4-2-3-5-11(10)20-15(23)14(17-18-16(19)20)9-6-7-12(21)13(22)8-9/h2-8,21-22H,1H3
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 459n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50083918
PNG
(3-(3,4-Dihydroxy-phenyl)-10H-benzo[4,5]imidazo[2,1...)
Show SMILES Oc1ccc(cc1O)-c1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-21H,(H,16,18)
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 470n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102288
PNG
(3-furan-2-yl-10-methyl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
Show InChI InChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
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 813n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50088421
PNG
((2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-p...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C17H17ClIN5O4/c18-17-22-14(20-5-8-2-1-3-9(19)4-8)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,22,23)/t10-,12-,13-,16-/m1/s1
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 890n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102286
PNG
(10-benzyl-3-furan-2-yl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2
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 990n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083920
PNG
(3-Thiophen-2-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4...)
Show SMILES O=c1c(n[nH]c2nc3ccccc3n12)-c1cccs1
Show InChI InChI=1S/C13H8N4OS/c18-12-11(10-6-3-7-19-10)15-16-13-14-8-4-1-2-5-9(8)17(12)13/h1-7H,(H,14,16)
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 1.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50102281
PNG
(10-Benzyl-3-(4-hydroxy-phenyl)-10H-benzo[4,5]imida...)
Show SMILES Oc1ccc(cc1)-c1nnc2n(Cc3ccccc3)c3ccccc3n2c1=O
Show InChI InChI=1S/C22H16N4O2/c27-17-12-10-16(11-13-17)20-21(28)26-19-9-5-4-8-18(19)25(22(26)24-23-20)14-15-6-2-1-3-7-15/h1-13,27H,14H2
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 1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50102286
PNG
(10-benzyl-3-furan-2-yl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES O=c1c(nnc2n(Cc3ccccc3)c3ccccc3n12)-c1ccco1
Show InChI InChI=1S/C20H14N4O2/c25-19-18(17-11-6-12-26-17)21-22-20-23(13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)24(19)20/h1-12H,13H2
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 1.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083916
PNG
(3-(4-Hydroxy-phenyl)-10H-benzo[4,5]imidazo[2,1-c][...)
Show SMILES Oc1ccc(cc1)-c1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C15H10N4O2/c20-10-7-5-9(6-8-10)13-14(21)19-12-4-2-1-3-11(12)16-15(19)18-17-13/h1-8,20H,(H,16,18)
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 1.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102290
PNG
(3-(3,4-Dimethoxy-phenyl)-10H-benzo[4,5]imidazo[2,1...)
Show SMILES COc1ccc(cc1OC)-c1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C17H14N4O3/c1-23-13-8-7-10(9-14(13)24-2)15-16(22)21-12-6-4-3-5-11(12)18-17(21)20-19-15/h3-9H,1-2H3,(H,18,20)
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 1.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102283
PNG
(3-(4-Methoxy-phenyl)-10-methyl-10H-benzo[4,5]imida...)
Show SMILES COc1ccc(cc1)-c1nnc2n(C)c3ccccc3n2c1=O
Show InChI InChI=1S/C17H14N4O2/c1-20-13-5-3-4-6-14(13)21-16(22)15(18-19-17(20)21)11-7-9-12(23-2)10-8-11/h3-10H,1-2H3
PDB

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 2.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083922
PNG
(3-Phenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-14-13(10-6-2-1-3-7-10)17-18-15-16-11-8-4-5-9-12(11)19(14)15/h1-9H,(H,16,18)
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 2.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083918
PNG
(3-(3,4-Dihydroxy-phenyl)-10H-benzo[4,5]imidazo[2,1...)
Show SMILES Oc1ccc(cc1O)-c1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C15H10N4O3/c20-11-6-5-8(7-12(11)21)13-14(22)19-10-4-2-1-3-9(10)16-15(19)18-17-13/h1-7,20-21H,(H,16,18)
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 3.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50102292
PNG
(3-Methyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazi...)
Show SMILES Cc1nnc2[nH]c3ccccc3n2c1=O
Show InChI InChI=1S/C10H8N4O/c1-6-9(15)14-8-5-3-2-4-7(8)11-10(14)13-12-6/h2-5H,1H3,(H,11,13)
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PubMed
 3.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50083915
PNG
(3-Thiophen-3-yl-10H-benzo[4,5]imidazo[2,1-c][1,2,4...)
Show SMILES O=c1c(nnc2[nH]c3ccccc3n12)-c1ccsc1
Show InChI InChI=1S/C13H8N4OS/c18-12-11(8-5-6-19-7-8)15-16-13-14-9-3-1-2-4-10(9)17(12)13/h1-7H,(H,14,16)
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PubMed
 5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50102288
PNG
(3-furan-2-yl-10-methyl-10H-benzo[4,5]imidazo[2,1-c...)
Show SMILES Cn1c2ccccc2n2c1nnc(-c1ccco1)c2=O
Show InChI InChI=1S/C14H10N4O2/c1-17-9-5-2-3-6-10(9)18-13(19)12(15-16-14(17)18)11-7-4-8-20-11/h2-8H,1H3
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 6.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [125 I]AB-MECA from adenosine A3 receptor in bovine cortical membranes with 20 nM DPCPX

J Med Chem 44: 316-27 (2001)


BindingDB Entry DOI: 10.7270/Q2D79C4H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%